4-amino-5-[(2-methylcyclohexyl)amino]-5-oxopentanoic acid

C12H22N2O3 — CID 64895983

IUPAC4-amino-5-[(2-methylcyclohexyl)amino]-5-oxopentanoic acid
SMILESCC1CCCCC1NC(=O)C(N)CCC(=O)O
InChIInChI=1S/C12H22N2O3/c1-8-4-2-3-5-10(8)14-12(17)9(13)6-7-11(15)16/h8-10H,2-7,13H2,1H3,(H,14,17)(H,15,16)
InChIKeyCPMFCUVNXQSDTA-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.87
Rot. Bonds5

About 4-amino-5-[(2-methylcyclohexyl)amino]-5-oxopentanoic acid

4-amino-5-[(2-methylcyclohexyl)amino]-5-oxopentanoic acid (PubChem CID 64895983) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 4-amino-5-[(2-methylcyclohexyl)amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name4-amino-5-[(2-methylcyclohexyl)amino]-5-oxopentanoic acid
PubChem CID64895983
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name4-amino-5-[(2-methylcyclohexyl)amino]-5-oxopentanoic acid
SMILESCC1CCCCC1NC(=O)C(N)CCC(=O)O
InChIInChI=1S/C12H22N2O3/c1-8-4-2-3-5-10(8)14-12(17)9(13)6-7-11(15)16/h8-10H,2-7,13H2,1H3,(H,14,17)(H,15,16)
InChIKeyCPMFCUVNXQSDTA-UHFFFAOYSA-N
XLogP0.87
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[(1R,2S)-2-methylcyclohexyl]pentanamide
CID 93255478
(2S)-2-amino-N-(2-methylcycloheptyl)pentanamide
CID 107569955
2-amino-N-(2-methylcyclopentyl)hexanamide
CID 63281748
4-amino-5-oxo-5-[[2-(trifluoromethyl)cyclohexyl]amino]pentanoic acid
CID 64895229
2-amino-N-(2-methylcyclopentyl)butanamide
CID 63281650
(2S)-2-amino-4-methyl-N-(2-methylcyclopentyl)pentanamide
CID 63281509
2-amino-N-(2-methylcyclopentyl)butanediamide
CID 63281841
4-amino-5-[(2,2-dimethylcyclohexyl)amino]-5-oxopentanoic acid
CID 79878132
4-amino-5-[[(1S)-1-cyclopentylethyl]amino]-5-oxopentanoic acid
CID 81391187
1-N,3-N,5-N-tris(2-methylcyclohexyl)pentane-1,3,5-tricarboxamide
CID 139666026
2-amino-N-(2,3-dimethylcyclohexyl)pentanamide;hydrochloride
CID 119264133
2-(2-aminohexanoylamino)cyclohexane-1-carboxylic acid
CID 64817389

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-[(2-methylcyclohexyl)amino]-5-oxopentanoic acid?
The IUPAC name of 4-amino-5-[(2-methylcyclohexyl)amino]-5-oxopentanoic acid (CID 64895983) is 4-amino-5-[(2-methylcyclohexyl)amino]-5-oxopentanoic acid.
What is the SMILES notation for 4-amino-5-[(2-methylcyclohexyl)amino]-5-oxopentanoic acid?
The canonical SMILES for 4-amino-5-[(2-methylcyclohexyl)amino]-5-oxopentanoic acid is CC1CCCCC1NC(=O)C(N)CCC(=O)O.
What is the InChIKey of 4-amino-5-[(2-methylcyclohexyl)amino]-5-oxopentanoic acid?
The InChIKey is CPMFCUVNXQSDTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-8-4-2-3-5-10(8)14-12(17)9(13)6-7-11(15)16/h8-10H,2-7,13H2,1H3,(H,14,17)(H,15,16).
What are the key properties of 4-amino-5-[(2-methylcyclohexyl)amino]-5-oxopentanoic acid?
4-amino-5-[(2-methylcyclohexyl)amino]-5-oxopentanoic acid has a molecular weight of 242.32 g/mol, XLogP of 0.87, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-[(2-methylcyclohexyl)amino]-5-oxopentanoic acid is sourced from PubChem (CID 64895983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).