2-(3-methylpentan-2-ylcarbamoyl)cyclopentane-1-carboxylic acid

C13H23NO3 — CID 103978580

IUPAC2-(3-methylpentan-2-ylcarbamoyl)cyclopentane-1-carboxylic acid
SMILESCCC(C)C(C)NC(=O)C1CCCC1C(=O)O
InChIInChI=1S/C13H23NO3/c1-4-8(2)9(3)14-12(15)10-6-5-7-11(10)13(16)17/h8-11H,4-7H2,1-3H3,(H,14,15)(H,16,17)
InChIKeyKMPXEWLPYBMEQG-UHFFFAOYSA-N
MW241.33 g/mol
LogP2.04
Rot. Bonds5

About 2-(3-methylpentan-2-ylcarbamoyl)cyclopentane-1-carboxylic acid

2-(3-methylpentan-2-ylcarbamoyl)cyclopentane-1-carboxylic acid (PubChem CID 103978580) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is 2-(3-methylpentan-2-ylcarbamoyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-(3-methylpentan-2-ylcarbamoyl)cyclopentane-1-carboxylic acid
PubChem CID103978580
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name2-(3-methylpentan-2-ylcarbamoyl)cyclopentane-1-carboxylic acid
SMILESCCC(C)C(C)NC(=O)C1CCCC1C(=O)O
InChIInChI=1S/C13H23NO3/c1-4-8(2)9(3)14-12(15)10-6-5-7-11(10)13(16)17/h8-11H,4-7H2,1-3H3,(H,14,15)(H,16,17)
InChIKeyKMPXEWLPYBMEQG-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-(3-ethylpentan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63841768
2-(3-methylpentan-2-ylcarbamoyl)cyclopropane-1-carboxylic acid
CID 61463679
cis-(1R,2S)-2-(propan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid
CID 724026
2-[[(2S)-1-hydroxypropan-2-yl]carbamoyl]cyclopentane-1-carboxylic acid
CID 107214513
2-(1-methoxypropan-2-ylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103977801
cis-(1S,2R)-2-(1-cyclopropylbutan-2-ylcarbamoyl)cyclopentane-1-carboxylic acid
CID 114092378
methyl (2S,3R)-2-[[(1R,2R)-2-[[(2S,3R)-1-methoxy-3-methyl-1-oxopentan-2-yl]carbamoyl]cyclopentanecarbonyl]amino]-3-methylpentanoate
CID 174067701
2-[[(2S)-1-hydroxybutan-2-yl]carbamoyl]cyclohexane-1-carboxylic acid
CID 107214907
2-[1-(diethylamino)propan-2-ylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103978652
3-methyl-2-[(2-methylcyclopentanecarbonyl)amino]pentanoic acid
CID 107175072
2-[[(1R)-1-cyclopentylethyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 103979033
cis-(1S,2R)-2-[(1-carboxy-2-methylpropyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114092157

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylpentan-2-ylcarbamoyl)cyclopentane-1-carboxylic acid?
The IUPAC name of 2-(3-methylpentan-2-ylcarbamoyl)cyclopentane-1-carboxylic acid (CID 103978580) is 2-(3-methylpentan-2-ylcarbamoyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-(3-methylpentan-2-ylcarbamoyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-(3-methylpentan-2-ylcarbamoyl)cyclopentane-1-carboxylic acid is CCC(C)C(C)NC(=O)C1CCCC1C(=O)O.
What is the InChIKey of 2-(3-methylpentan-2-ylcarbamoyl)cyclopentane-1-carboxylic acid?
The InChIKey is KMPXEWLPYBMEQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-4-8(2)9(3)14-12(15)10-6-5-7-11(10)13(16)17/h8-11H,4-7H2,1-3H3,(H,14,15)(H,16,17).
What are the key properties of 2-(3-methylpentan-2-ylcarbamoyl)cyclopentane-1-carboxylic acid?
2-(3-methylpentan-2-ylcarbamoyl)cyclopentane-1-carboxylic 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 2-(3-methylpentan-2-ylcarbamoyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103978580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).