2-[(1-amino-3-methylcyclohexanecarbonyl)-cyclopropylamino]acetic acid

C13H22N2O3 — CID 64552528

IUPAC2-[(1-amino-3-methylcyclohexanecarbonyl)-cyclopropylamino]acetic acid
SMILESCC1CCCC(N)(C(=O)N(CC(=O)O)C2CC2)C1
InChIInChI=1S/C13H22N2O3/c1-9-3-2-6-13(14,7-9)12(18)15(8-11(16)17)10-4-5-10/h9-10H,2-8,14H2,1H3,(H,16,17)
InChIKeyAXCBPRAYDXKVIM-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.97
Rot. Bonds4

About 2-[(1-amino-3-methylcyclohexanecarbonyl)-cyclopropylamino]acetic acid

2-[(1-amino-3-methylcyclohexanecarbonyl)-cyclopropylamino]acetic acid (PubChem CID 64552528) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-[(1-amino-3-methylcyclohexanecarbonyl)-cyclopropylamino]acetic acid.

Molecular Properties

Compound Name2-[(1-amino-3-methylcyclohexanecarbonyl)-cyclopropylamino]acetic acid
PubChem CID64552528
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name2-[(1-amino-3-methylcyclohexanecarbonyl)-cyclopropylamino]acetic acid
SMILESCC1CCCC(N)(C(=O)N(CC(=O)O)C2CC2)C1
InChIInChI=1S/C13H22N2O3/c1-9-3-2-6-13(14,7-9)12(18)15(8-11(16)17)10-4-5-10/h9-10H,2-8,14H2,1H3,(H,16,17)
InChIKeyAXCBPRAYDXKVIM-UHFFFAOYSA-N
XLogP0.97
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(1-amino-3-methylcyclohexanecarbonyl)-cyclopropylamino]acetic 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

2-[(1-amino-3-methylcyclohexanecarbonyl)-methylamino]acetic acid
CID 64555060
2-[(1-aminocyclobutanecarbonyl)-cyclopropylamino]acetic acid
CID 81173046
1-amino-N-cyclopropyl-3-methyl-N-propylcyclohexane-1-carboxamide
CID 64550261
2-[(1-amino-3-methylcyclohexanecarbonyl)-tert-butylamino]acetic acid
CID 79268686
1-amino-N,3-dimethyl-N-(4-methylcyclohexyl)cyclohexane-1-carboxamide
CID 64549415
1-amino-N-[(1-hydroxycyclopentyl)methyl]-N,3-dimethylcyclohexane-1-carboxamide
CID 114948978
1-amino-N-cyclopropyl-3-methyl-N-(pyridin-2-ylmethyl)cyclohexane-1-carboxamide
CID 64551877
1-amino-N,3-dimethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxamide
CID 64553576
2-[(1-amino-3-methylcyclohexanecarbonyl)-methylamino]butanoic acid
CID 64554226
1-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-N,3-dimethylcyclohexane-1-carboxamide
CID 64551042
4-[(1-amino-3-methylcyclohexanecarbonyl)-propan-2-ylamino]butanoic acid
CID 64552529
cis-(1S,3S)-1-amino-3-methylcyclohexane-1-carboxamide
CID 93311266

Frequently Asked Questions

What is the IUPAC name of 2-[(1-amino-3-methylcyclohexanecarbonyl)-cyclopropylamino]acetic acid?
The IUPAC name of 2-[(1-amino-3-methylcyclohexanecarbonyl)-cyclopropylamino]acetic acid (CID 64552528) is 2-[(1-amino-3-methylcyclohexanecarbonyl)-cyclopropylamino]acetic acid.
What is the SMILES notation for 2-[(1-amino-3-methylcyclohexanecarbonyl)-cyclopropylamino]acetic acid?
The canonical SMILES for 2-[(1-amino-3-methylcyclohexanecarbonyl)-cyclopropylamino]acetic acid is CC1CCCC(N)(C(=O)N(CC(=O)O)C2CC2)C1.
What is the InChIKey of 2-[(1-amino-3-methylcyclohexanecarbonyl)-cyclopropylamino]acetic acid?
The InChIKey is AXCBPRAYDXKVIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-9-3-2-6-13(14,7-9)12(18)15(8-11(16)17)10-4-5-10/h9-10H,2-8,14H2,1H3,(H,16,17).
What are the key properties of 2-[(1-amino-3-methylcyclohexanecarbonyl)-cyclopropylamino]acetic acid?
2-[(1-amino-3-methylcyclohexanecarbonyl)-cyclopropylamino]acetic acid has a molecular weight of 254.33 g/mol, XLogP of 0.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-amino-3-methylcyclohexanecarbonyl)-cyclopropylamino]acetic acid is sourced from PubChem (CID 64552528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).