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Synonyms:
(2S)-2-amino-6-(carbamoylamino)hexanoic acid; N(6)-carbamoyl-L-lysine; L-Homocitrulline; N(6)-(aminocarbonyl)-L-lysine; L-Lysine, N(6)-(aminocarbonyl)-; Homocitrulline
InCHi String:
InChI=1S/C7H15N3O3/c8-5(6(11)12)3-1-2-4-10-7(9)13/h5H,1-4,8H2,(H,11,12)(H3,9,10,13)/t5-/m0/s1

Canonical SMILES:
C(CCNC(=O)N)CC(C(=O)O)N

Isomeric SMILES:
C(CCNC(=O)N)C[C@@H](C(=O)O)N


IUPAC m_iupac_name:
(2S)-2-amino-6-(carbamoylamino)hexanoic acid

IUPAC m_iupac_traditional_name: IUPAC m_iupac_openeye_name:
(2S)-2-amino-6-ureido-hexanoic acid

IUPAC m_iupac_cas_name:
(2S)-2-amino-6-ureidohexanoic acid

IUPAC m_iupac_systematic_name:
(2S)-2-amino-6-(aminocarbonylamino)hexanoic acid
5Â¥2010-05-08 13:25:51
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[Synonyms]
L-Homocitrulline
Homocitrulline
N(6)-carbamoyl-L-lysine
N(6)-(aminocarbonyl)-L-lysine
CHEBI:17443
L-Lysine, N(6)-(aminocarbonyl)-
EINECS 214-722-0
NSC 27428
(2S)-2-amino-6-(carbamoylamino)hexanoic acid
C02427

[Structure]



[ Properties Computed from Structure]

Molecular Weight 189.2123 [g/mol]
Molecular Formula C7H15N3O3
XLogP -3.6
H-Bond Donor 4
H-Bond Acceptor 4
Rotatable Bond Count 6
Tautomer Count 3
Exact Mass 189.111341
MonoIsotopic Mass 189.111341
Topological Polar Surface Area 118
Heavy Atom Count 13
Formal Charge 0
Complexity 184
Isotope Atom Count 0
Defined Atom StereoCenter Count 1
Undefined Atom StereoCenter Count 0
Defined Bond StereoCenter Count 0
Undefined Bond StereoCenter Count 0
Covalently-Bonded Unit Count 1


[ Descriptors Computed from Structure]
IUPAC Name: (2S)-2-amino-6-(carbamoylamino)hexanoic acid
Canonical SMILES: C(CCNC(=O)N)CC(C(=O)O)N
Isomeric SMILES: C(CCNC(=O)N)C[C@@H](C(=O)O)N
InChI: InChI=1/C7H15N3O3/c8-5(6(11)12)3-1-2-4-10-7(9)13/h5H,1-4,8H2,(H,11,
12)(H3,9,10,13)/t5-/m0/s1/f/h10-11H,9H2
6Â¥2010-05-08 13:28:45
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214-216¡ãC

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25.5¡ã (c=8, 6N HCl)

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200 g/L (20¡ãC)
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