5-[(1-aminocyclohexanecarbonyl)amino]-4-methylpentanoic acid

C13H24N2O3 — CID 82688208

IUPAC5-[(1-aminocyclohexanecarbonyl)amino]-4-methylpentanoic acid
SMILESCC(CCC(=O)O)CNC(=O)C1(N)CCCCC1
InChIInChI=1S/C13H24N2O3/c1-10(5-6-11(16)17)9-15-12(18)13(14)7-3-2-4-8-13/h10H,2-9,14H2,1H3,(H,15,18)(H,16,17)
InChIKeyNTMKTFPMSZOAOP-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.27
Rot. Bonds6

About 5-[(1-aminocyclohexanecarbonyl)amino]-4-methylpentanoic acid

5-[(1-aminocyclohexanecarbonyl)amino]-4-methylpentanoic acid (PubChem CID 82688208) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 5-[(1-aminocyclohexanecarbonyl)amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name5-[(1-aminocyclohexanecarbonyl)amino]-4-methylpentanoic acid
PubChem CID82688208
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name5-[(1-aminocyclohexanecarbonyl)amino]-4-methylpentanoic acid
SMILESCC(CCC(=O)O)CNC(=O)C1(N)CCCCC1
InChIInChI=1S/C13H24N2O3/c1-10(5-6-11(16)17)9-15-12(18)13(14)7-3-2-4-8-13/h10H,2-9,14H2,1H3,(H,15,18)(H,16,17)
InChIKeyNTMKTFPMSZOAOP-UHFFFAOYSA-N
XLogP1.27
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-5-[(1-methylcyclopentanecarbonyl)amino]pentanoic acid
CID 82010362
1-amino-N-(3-hydroxy-2-methylpropyl)cyclohexane-1-carboxamide
CID 65036083
6-[(1-aminocyclopropanecarbonyl)amino]-4-methylhexanoic acid
CID 65459092
3-[(1-aminocyclopentanecarbonyl)amino]-2-methylpropanoic acid
CID 62675201
1-amino-N-[(2S)-2-hydroxypropyl]cyclopentane-1-carboxamide
CID 93315414
(2S)-3-[(1-aminocyclohexanecarbonyl)amino]-2-hydroxypropanoic acid
CID 107835729
5-[(1-ethylcyclobutyl)carbamoylamino]-4-methylpentanoic acid
CID 113488992
1-amino-N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]cyclohexane-1-carboxamide
CID 119902544
5-[(1-ethylcyclobutyl)methylcarbamoylamino]-4-methylpentanoic acid
CID 114108830
4-methyl-5-(piperidine-1-carbonylamino)pentanoic acid
CID 82682716
1-amino-N-(3-methylbutyl)cyclopentane-1-carboxamide
CID 60866848
5-(cyclohexylamino)-4-methylpentanoic acid
CID 82933568

Frequently Asked Questions

What is the IUPAC name of 5-[(1-aminocyclohexanecarbonyl)amino]-4-methylpentanoic acid?
The IUPAC name of 5-[(1-aminocyclohexanecarbonyl)amino]-4-methylpentanoic acid (CID 82688208) is 5-[(1-aminocyclohexanecarbonyl)amino]-4-methylpentanoic acid.
What is the SMILES notation for 5-[(1-aminocyclohexanecarbonyl)amino]-4-methylpentanoic acid?
The canonical SMILES for 5-[(1-aminocyclohexanecarbonyl)amino]-4-methylpentanoic acid is CC(CCC(=O)O)CNC(=O)C1(N)CCCCC1.
What is the InChIKey of 5-[(1-aminocyclohexanecarbonyl)amino]-4-methylpentanoic acid?
The InChIKey is NTMKTFPMSZOAOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-10(5-6-11(16)17)9-15-12(18)13(14)7-3-2-4-8-13/h10H,2-9,14H2,1H3,(H,15,18)(H,16,17).
What are the key properties of 5-[(1-aminocyclohexanecarbonyl)amino]-4-methylpentanoic acid?
5-[(1-aminocyclohexanecarbonyl)amino]-4-methylpentanoic acid has a molecular weight of 256.35 g/mol, XLogP of 1.27, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-aminocyclohexanecarbonyl)amino]-4-methylpentanoic acid is sourced from PubChem (CID 82688208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).