2-[(2-amino-1-cyclohexylethyl)amino]-2-oxoacetic acid

C10H18N2O3 — CID 119035659

IUPAC2-[(2-amino-1-cyclohexylethyl)amino]-2-oxoacetic acid
SMILESNCC(NC(=O)C(=O)O)C1CCCCC1
InChIInChI=1S/C10H18N2O3/c11-6-8(12-9(13)10(14)15)7-4-2-1-3-5-7/h7-8H,1-6,11H2,(H,12,13)(H,14,15)
InChIKeyBZDLFYXNHXOFKB-UHFFFAOYSA-N
MW214.26 g/mol
LogP0.09
Rot. Bonds3

About 2-[(2-amino-1-cyclohexylethyl)amino]-2-oxoacetic acid

2-[(2-amino-1-cyclohexylethyl)amino]-2-oxoacetic acid (PubChem CID 119035659) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is 2-[(2-amino-1-cyclohexylethyl)amino]-2-oxoacetic acid.

Molecular Properties

Compound Name2-[(2-amino-1-cyclohexylethyl)amino]-2-oxoacetic acid
PubChem CID119035659
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name2-[(2-amino-1-cyclohexylethyl)amino]-2-oxoacetic acid
SMILESNCC(NC(=O)C(=O)O)C1CCCCC1
InChIInChI=1S/C10H18N2O3/c11-6-8(12-9(13)10(14)15)7-4-2-1-3-5-7/h7-8H,1-6,11H2,(H,12,13)(H,14,15)
InChIKeyBZDLFYXNHXOFKB-UHFFFAOYSA-N
XLogP0.09
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 50.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 2-[(2-amino-1-cyclohexylethyl)amino]-2-oxoacetic 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

ethyl N-(2-amino-1-cyclooctylethyl)carbamate
CID 114207874
N-(2-amino-1-cyclopentylethyl)-2,2,2-trifluoroacetamide
CID 106737372
1-acetyl-N-(2-amino-1-cyclohexylethyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119588926
N-(2-amino-1-cyclopentylethyl)-3-cyclohexylpropanamide
CID 106737712
N-(2-amino-1-cyclopentylethyl)-3-methylbutanamide
CID 106737373
2-acetamido-N-(2-amino-1-cyclohexylethyl)acetamide;hydrochloride
CID 119590269
N-(2-amino-1-cyclohexylethyl)-4-methylcyclohexane-1-carboxamide
CID 81485419
N-(2-amino-1-cyclohexylethyl)-4,4,4-trifluorobutanamide
CID 81486060
N-(2-amino-1-cyclohexylethyl)pentanamide;hydrochloride
CID 119589343
N-(2-amino-1-cyclohexylethyl)-2-(dimethylamino)-3-methylbutanamide;dihydrochloride
CID 119590156
N-(2-amino-1-cyclopentylethyl)-2-(dimethylamino)acetamide
CID 106737390
N-(2-amino-1-cyclopentylethyl)bicyclo[3.1.0]hexane-3-carboxamide
CID 106737463

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-1-cyclohexylethyl)amino]-2-oxoacetic acid?
The IUPAC name of 2-[(2-amino-1-cyclohexylethyl)amino]-2-oxoacetic acid (CID 119035659) is 2-[(2-amino-1-cyclohexylethyl)amino]-2-oxoacetic acid.
What is the SMILES notation for 2-[(2-amino-1-cyclohexylethyl)amino]-2-oxoacetic acid?
The canonical SMILES for 2-[(2-amino-1-cyclohexylethyl)amino]-2-oxoacetic acid is NCC(NC(=O)C(=O)O)C1CCCCC1.
What is the InChIKey of 2-[(2-amino-1-cyclohexylethyl)amino]-2-oxoacetic acid?
The InChIKey is BZDLFYXNHXOFKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c11-6-8(12-9(13)10(14)15)7-4-2-1-3-5-7/h7-8H,1-6,11H2,(H,12,13)(H,14,15).
What are the key properties of 2-[(2-amino-1-cyclohexylethyl)amino]-2-oxoacetic acid?
2-[(2-amino-1-cyclohexylethyl)amino]-2-oxoacetic acid has a molecular weight of 214.26 g/mol, XLogP of 0.09, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-1-cyclohexylethyl)amino]-2-oxoacetic acid is sourced from PubChem (CID 119035659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).