4-methyl-5-[(1-methylcyclopentanecarbonyl)amino]pentanoic acid

C13H23NO3 — CID 82010362

IUPAC4-methyl-5-[(1-methylcyclopentanecarbonyl)amino]pentanoic acid
SMILESCC(CCC(=O)O)CNC(=O)C1(C)CCCC1
InChIInChI=1S/C13H23NO3/c1-10(5-6-11(15)16)9-14-12(17)13(2)7-3-4-8-13/h10H,3-9H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyOWHUJBODBXBMLY-UHFFFAOYSA-N
MW241.33 g/mol
LogP2.18
Rot. Bonds6

About 4-methyl-5-[(1-methylcyclopentanecarbonyl)amino]pentanoic acid

4-methyl-5-[(1-methylcyclopentanecarbonyl)amino]pentanoic acid (PubChem CID 82010362) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is 4-methyl-5-[(1-methylcyclopentanecarbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name4-methyl-5-[(1-methylcyclopentanecarbonyl)amino]pentanoic acid
PubChem CID82010362
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name4-methyl-5-[(1-methylcyclopentanecarbonyl)amino]pentanoic acid
SMILESCC(CCC(=O)O)CNC(=O)C1(C)CCCC1
InChIInChI=1S/C13H23NO3/c1-10(5-6-11(15)16)9-14-12(17)13(2)7-3-4-8-13/h10H,3-9H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyOWHUJBODBXBMLY-UHFFFAOYSA-N
XLogP2.18
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-[(1-aminocyclohexanecarbonyl)amino]-4-methylpentanoic acid
CID 82688208
N-(4-bromo-2-methylbutyl)-1-methylcyclohexane-1-carboxamide
CID 106829044
5-[(1-ethylcyclobutyl)methylcarbamoylamino]-4-methylpentanoic acid
CID 114108830
(2S)-2-hydroxy-3-[(1-methylcyclohexanecarbonyl)amino]propanoic acid
CID 107833610
5-[(1-ethylcyclobutyl)carbamoylamino]-4-methylpentanoic acid
CID 113488992
7-[(1-methylcyclohexanecarbonyl)amino]heptanoic acid
CID 106826162
5-(methoxycarbonylamino)-4-methylpentanoic acid
CID 82017023
5-(cyclopropanecarbonylamino)-4-methylpentanoic acid
CID 82010371
5-[(3-hydroxy-3-methylpyrrolidine-1-carbonyl)amino]-4-methylpentanoic acid
CID 103357258
4-methyl-5-(piperidine-1-carbonylamino)pentanoic acid
CID 82682716
5-[(2,2-difluoroacetyl)amino]-4-methylpentanoic acid
CID 103513451
5-(cyclohexylamino)-4-methylpentanoic acid
CID 82933568

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[(1-methylcyclopentanecarbonyl)amino]pentanoic acid?
The IUPAC name of 4-methyl-5-[(1-methylcyclopentanecarbonyl)amino]pentanoic acid (CID 82010362) is 4-methyl-5-[(1-methylcyclopentanecarbonyl)amino]pentanoic acid.
What is the SMILES notation for 4-methyl-5-[(1-methylcyclopentanecarbonyl)amino]pentanoic acid?
The canonical SMILES for 4-methyl-5-[(1-methylcyclopentanecarbonyl)amino]pentanoic acid is CC(CCC(=O)O)CNC(=O)C1(C)CCCC1.
What is the InChIKey of 4-methyl-5-[(1-methylcyclopentanecarbonyl)amino]pentanoic acid?
The InChIKey is OWHUJBODBXBMLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-10(5-6-11(15)16)9-14-12(17)13(2)7-3-4-8-13/h10H,3-9H2,1-2H3,(H,14,17)(H,15,16).
What are the key properties of 4-methyl-5-[(1-methylcyclopentanecarbonyl)amino]pentanoic acid?
4-methyl-5-[(1-methylcyclopentanecarbonyl)amino]pentanoic acid has a molecular weight of 241.33 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[(1-methylcyclopentanecarbonyl)amino]pentanoic acid is sourced from PubChem (CID 82010362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).