3-methyl-2-[(2-methylcyclopentanecarbonyl)amino]pentanoic acid

C13H23NO3 — CID 107175072

IUPAC3-methyl-2-[(2-methylcyclopentanecarbonyl)amino]pentanoic acid
SMILESCCC(C)C(NC(=O)C1CCCC1C)C(=O)O
InChIInChI=1S/C13H23NO3/c1-4-8(2)11(13(16)17)14-12(15)10-7-5-6-9(10)3/h8-11H,4-7H2,1-3H3,(H,14,15)(H,16,17)
InChIKeyRBVOAHCHFDITHM-UHFFFAOYSA-N
MW241.33 g/mol
LogP2.04
Rot. Bonds5

About 3-methyl-2-[(2-methylcyclopentanecarbonyl)amino]pentanoic acid

3-methyl-2-[(2-methylcyclopentanecarbonyl)amino]pentanoic acid (PubChem CID 107175072) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is 3-methyl-2-[(2-methylcyclopentanecarbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name3-methyl-2-[(2-methylcyclopentanecarbonyl)amino]pentanoic acid
PubChem CID107175072
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name3-methyl-2-[(2-methylcyclopentanecarbonyl)amino]pentanoic acid
SMILESCCC(C)C(NC(=O)C1CCCC1C)C(=O)O
InChIInChI=1S/C13H23NO3/c1-4-8(2)11(13(16)17)14-12(15)10-7-5-6-9(10)3/h8-11H,4-7H2,1-3H3,(H,14,15)(H,16,17)
InChIKeyRBVOAHCHFDITHM-UHFFFAOYSA-N
XLogP2.04
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(bicyclo[2.2.1]heptane-2-carbonylamino)-3-methylpentanoic acid
CID 43209835
cis-(1S,2R)-2-methyl-N-propan-2-ylcyclopentane-1-carboxamide
CID 143706762
2-(cyclooctanecarbonylamino)-3-methylpentanoic acid
CID 65019151
methyl (2S,3R)-2-[[(1R,2R)-2-[[(2S,3R)-1-methoxy-3-methyl-1-oxopentan-2-yl]carbamoyl]cyclopentanecarbonyl]amino]-3-methylpentanoate
CID 174067701
(2S)-3-methyl-2-[(2-methylcyclopentyl)methylcarbamoylamino]pentanoic acid
CID 107419825
cis-(1R,2S)-N-[(2S,3S)-1-(benzylamino)-3-methyl-1-oxopentan-2-yl]-2-methylcyclohexane-1-carboxamide
CID 40965510
trans-(1S,2S)-N-[(2S,3S)-1-(3-methoxypropylamino)-3-methyl-1-oxopentan-2-yl]-2-methylcyclohexane-1-carboxamide
CID 124716794
ethane;(1R)-2-methyl-N-propan-2-ylcyclopentane-1-carboxamide
CID 143679818
2-methyl-3-[(2-methylcyclopentanecarbonyl)amino]butanoic acid
CID 107175904
2-(3-methylpentan-2-ylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103978580
3-methyl-2-[(3-methylcyclobutanecarbonyl)amino]pentanoic acid
CID 115909831
(2S,3S)-2-[(3-aminocyclohexanecarbonyl)amino]-3-methylpentanoic acid
CID 63044886

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[(2-methylcyclopentanecarbonyl)amino]pentanoic acid?
The IUPAC name of 3-methyl-2-[(2-methylcyclopentanecarbonyl)amino]pentanoic acid (CID 107175072) is 3-methyl-2-[(2-methylcyclopentanecarbonyl)amino]pentanoic acid.
What is the SMILES notation for 3-methyl-2-[(2-methylcyclopentanecarbonyl)amino]pentanoic acid?
The canonical SMILES for 3-methyl-2-[(2-methylcyclopentanecarbonyl)amino]pentanoic acid is CCC(C)C(NC(=O)C1CCCC1C)C(=O)O.
What is the InChIKey of 3-methyl-2-[(2-methylcyclopentanecarbonyl)amino]pentanoic acid?
The InChIKey is RBVOAHCHFDITHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-4-8(2)11(13(16)17)14-12(15)10-7-5-6-9(10)3/h8-11H,4-7H2,1-3H3,(H,14,15)(H,16,17).
What are the key properties of 3-methyl-2-[(2-methylcyclopentanecarbonyl)amino]pentanoic acid?
3-methyl-2-[(2-methylcyclopentanecarbonyl)amino]pentanoic acid has a molecular weight of 241.33 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[(2-methylcyclopentanecarbonyl)amino]pentanoic acid is sourced from PubChem (CID 107175072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).