1-[[(1-amino-3-methylcyclohexanecarbonyl)amino]methyl]cyclopropane-1-carboxylic acid

C13H22N2O3 — CID 113312279

IUPAC1-[[(1-amino-3-methylcyclohexanecarbonyl)amino]methyl]cyclopropane-1-carboxylic acid
SMILESCC1CCCC(N)(C(=O)NCC2(C(=O)O)CC2)C1
InChIInChI=1S/C13H22N2O3/c1-9-3-2-4-13(14,7-9)10(16)15-8-12(5-6-12)11(17)18/h9H,2-8,14H2,1H3,(H,15,16)(H,17,18)
InChIKeyXBERXTWUIKPCFV-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.88
Rot. Bonds4

About 1-[[(1-amino-3-methylcyclohexanecarbonyl)amino]methyl]cyclopropane-1-carboxylic acid

1-[[(1-amino-3-methylcyclohexanecarbonyl)amino]methyl]cyclopropane-1-carboxylic acid (PubChem CID 113312279) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 1-[[(1-amino-3-methylcyclohexanecarbonyl)amino]methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[(1-amino-3-methylcyclohexanecarbonyl)amino]methyl]cyclopropane-1-carboxylic acid
PubChem CID113312279
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name1-[[(1-amino-3-methylcyclohexanecarbonyl)amino]methyl]cyclopropane-1-carboxylic acid
SMILESCC1CCCC(N)(C(=O)NCC2(C(=O)O)CC2)C1
InChIInChI=1S/C13H22N2O3/c1-9-3-2-4-13(14,7-9)10(16)15-8-12(5-6-12)11(17)18/h9H,2-8,14H2,1H3,(H,15,16)(H,17,18)
InChIKeyXBERXTWUIKPCFV-UHFFFAOYSA-N
XLogP0.88
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[(1-aminocyclopentanecarbonyl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid
CID 115442649
1-amino-N-ethyl-3-methylcyclohexane-1-carboxamide
CID 64549188
1-amino-N-[(4-hydroxyoxan-4-yl)methyl]-3-methylcyclohexane-1-carboxamide
CID 81130808
1-amino-N-hydroxy-3-methylcyclohexane-1-carboxamide
CID 64555298
1-amino-N-(cyclobutylmethyl)-3-methylcyclohexane-1-carboxamide
CID 64550637
2-[[2-[(1-amino-3-methylcyclohexanecarbonyl)amino]acetyl]amino]acetic acid
CID 64554848
1-amino-N-(2-methoxy-2-methylpropyl)-3-methylcyclohexane-1-carboxamide
CID 115739676
4-[(1-amino-3-methylcyclohexanecarbonyl)amino]butanoic acid
CID 64555264
1-amino-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3-methylcyclohexane-1-carboxamide
CID 65119100
1-amino-N-[2-(cyclopropanecarbonylamino)ethyl]-3-methylcyclohexane-1-carboxamide
CID 115738026
1-amino-N-[(4-ethylcyclohexyl)methyl]-3-methylcyclohexane-1-carboxamide
CID 64554630
1-amino-N-(3-hydroxy-2-methylpropyl)-3-methylcyclohexane-1-carboxamide
CID 65035910

Frequently Asked Questions

What is the IUPAC name of 1-[[(1-amino-3-methylcyclohexanecarbonyl)amino]methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[[(1-amino-3-methylcyclohexanecarbonyl)amino]methyl]cyclopropane-1-carboxylic acid (CID 113312279) is 1-[[(1-amino-3-methylcyclohexanecarbonyl)amino]methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[[(1-amino-3-methylcyclohexanecarbonyl)amino]methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[[(1-amino-3-methylcyclohexanecarbonyl)amino]methyl]cyclopropane-1-carboxylic acid is CC1CCCC(N)(C(=O)NCC2(C(=O)O)CC2)C1.
What is the InChIKey of 1-[[(1-amino-3-methylcyclohexanecarbonyl)amino]methyl]cyclopropane-1-carboxylic acid?
The InChIKey is XBERXTWUIKPCFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-9-3-2-4-13(14,7-9)10(16)15-8-12(5-6-12)11(17)18/h9H,2-8,14H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 1-[[(1-amino-3-methylcyclohexanecarbonyl)amino]methyl]cyclopropane-1-carboxylic acid?
1-[[(1-amino-3-methylcyclohexanecarbonyl)amino]methyl]cyclopropane-1-carboxylic acid has a molecular weight of 254.33 g/mol, XLogP of 0.88, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1-amino-3-methylcyclohexanecarbonyl)amino]methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 113312279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).