(2S)-3-[(1-aminocyclohexanecarbonyl)amino]-2-hydroxypropanoic acid

C10H18N2O4 — CID 107835729

IUPAC(2S)-3-[(1-aminocyclohexanecarbonyl)amino]-2-hydroxypropanoic acid
SMILESNC1(C(=O)NC[C@H](O)C(=O)O)CCCCC1
InChIInChI=1S/C10H18N2O4/c11-10(4-2-1-3-5-10)9(16)12-6-7(13)8(14)15/h7,13H,1-6,11H2,(H,12,16)(H,14,15)/t7-/m0/s1
InChIKeyLWDKNUNQBIMKFS-ZETCQYMHSA-N
MW230.26 g/mol
LogP-0.79
Rot. Bonds4

About (2S)-3-[(1-aminocyclohexanecarbonyl)amino]-2-hydroxypropanoic acid

(2S)-3-[(1-aminocyclohexanecarbonyl)amino]-2-hydroxypropanoic acid (PubChem CID 107835729) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is (2S)-3-[(1-aminocyclohexanecarbonyl)amino]-2-hydroxypropanoic acid.

Molecular Properties

Compound Name(2S)-3-[(1-aminocyclohexanecarbonyl)amino]-2-hydroxypropanoic acid
PubChem CID107835729
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name(2S)-3-[(1-aminocyclohexanecarbonyl)amino]-2-hydroxypropanoic acid
SMILESNC1(C(=O)NC[C@H](O)C(=O)O)CCCCC1
InChIInChI=1S/C10H18N2O4/c11-10(4-2-1-3-5-10)9(16)12-6-7(13)8(14)15/h7,13H,1-6,11H2,(H,12,16)(H,14,15)/t7-/m0/s1
InChIKeyLWDKNUNQBIMKFS-ZETCQYMHSA-N
XLogP-0.79
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 5-0.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze (2S)-3-[(1-aminocyclohexanecarbonyl)amino]-2-hydroxypropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-4-[(1-aminocyclohexanecarbonyl)amino]-2-hydroxybutanoic acid
CID 114006870
4-[(1-aminocyclohexanecarbonyl)amino]-2-hydroxybutanoic acid
CID 107836020
(2S)-2-hydroxy-3-[(1-methylcyclohexanecarbonyl)amino]propanoic acid
CID 107833610
3-[(1-aminocyclopentanecarbonyl)amino]-2-methylpropanoic acid
CID 62675201
1-amino-N-[(2S)-2-hydroxypropyl]cyclopentane-1-carboxamide
CID 93315414
2-[[(1-aminocyclohexanecarbonyl)amino]methyl]-4,4-dimethylpentanoic acid
CID 107475563
1-amino-N-(2-hydroxy-2-phenylethyl)cyclohexane-1-carboxamide
CID 43500059
1-amino-N-(3-hydroxy-2-methylpropyl)cyclohexane-1-carboxamide
CID 65036083
(2S)-2-hydroxy-3-[[1-(2-methylpropyl)cyclopentanecarbonyl]amino]propanoic acid
CID 107833146
5-[(1-aminocyclohexanecarbonyl)amino]-4-methylpentanoic acid
CID 82688208
1-amino-N-[2-[cyclopropyl(methyl)amino]propyl]cyclohexane-1-carboxamide
CID 103814425
1-amino-N-(2-methoxy-3,3-dimethylbutyl)cyclohexane-1-carboxamide
CID 119341486

Frequently Asked Questions

What is the IUPAC name of (2S)-3-[(1-aminocyclohexanecarbonyl)amino]-2-hydroxypropanoic acid?
The IUPAC name of (2S)-3-[(1-aminocyclohexanecarbonyl)amino]-2-hydroxypropanoic acid (CID 107835729) is (2S)-3-[(1-aminocyclohexanecarbonyl)amino]-2-hydroxypropanoic acid.
What is the SMILES notation for (2S)-3-[(1-aminocyclohexanecarbonyl)amino]-2-hydroxypropanoic acid?
The canonical SMILES for (2S)-3-[(1-aminocyclohexanecarbonyl)amino]-2-hydroxypropanoic acid is NC1(C(=O)NC[C@H](O)C(=O)O)CCCCC1.
What is the InChIKey of (2S)-3-[(1-aminocyclohexanecarbonyl)amino]-2-hydroxypropanoic acid?
The InChIKey is LWDKNUNQBIMKFS-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H18N2O4/c11-10(4-2-1-3-5-10)9(16)12-6-7(13)8(14)15/h7,13H,1-6,11H2,(H,12,16)(H,14,15)/t7-/m0/s1.
What are the key properties of (2S)-3-[(1-aminocyclohexanecarbonyl)amino]-2-hydroxypropanoic acid?
(2S)-3-[(1-aminocyclohexanecarbonyl)amino]-2-hydroxypropanoic acid has a molecular weight of 230.26 g/mol, XLogP of -0.79, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-[(1-aminocyclohexanecarbonyl)amino]-2-hydroxypropanoic acid is sourced from PubChem (CID 107835729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).