1-[(3-ethyl-4-methylpentanoyl)amino]cyclopentane-1-carboxylic acid

C14H25NO3 — CID 119176447

IUPAC1-[(3-ethyl-4-methylpentanoyl)amino]cyclopentane-1-carboxylic acid
SMILESCCC(CC(=O)NC1(C(=O)O)CCCC1)C(C)C
InChIInChI=1S/C14H25NO3/c1-4-11(10(2)3)9-12(16)15-14(13(17)18)7-5-6-8-14/h10-11H,4-9H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyBPHRGZSZLKXKRQ-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.57
Rot. Bonds6

About 1-[(3-ethyl-4-methylpentanoyl)amino]cyclopentane-1-carboxylic acid

1-[(3-ethyl-4-methylpentanoyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 119176447) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 1-[(3-ethyl-4-methylpentanoyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(3-ethyl-4-methylpentanoyl)amino]cyclopentane-1-carboxylic acid
PubChem CID119176447
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name1-[(3-ethyl-4-methylpentanoyl)amino]cyclopentane-1-carboxylic acid
SMILESCCC(CC(=O)NC1(C(=O)O)CCCC1)C(C)C
InChIInChI=1S/C14H25NO3/c1-4-11(10(2)3)9-12(16)15-14(13(17)18)7-5-6-8-14/h10-11H,4-9H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyBPHRGZSZLKXKRQ-UHFFFAOYSA-N
XLogP2.57
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-ethyl-4-methylpentanoyl)amino]cyclopropane-1-carboxylic acid
CID 115910068
1-(3,4-dimethylpentanoylamino)cyclopropane-1-carboxylic acid
CID 115910126
1-[3-(aminomethyl)pentanoylamino]cycloheptane-1-carboxylic acid
CID 81087880
1-[3-(ethylamino)butanoylamino]cyclobutane-1-carboxylic acid
CID 81161523
1-(3-ethylpentan-2-ylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 63842552
1-[3-(propan-2-ylamino)propanoylamino]cyclopentane-1-carboxylic acid
CID 61160411
1-[(3-methyl-2-propan-2-ylbutanoyl)amino]cyclohexane-1-carboxylic acid
CID 114282150
3-ethyl-N-[(1-hydroxycyclobutyl)methyl]-4-methylpentanamide
CID 111539695
1-(butanoylamino)cyclobutane-1-carboxylic acid
CID 81158952
1-[[(3R)-3-amino-3-(3,4-dimethoxyphenyl)propanoyl]amino]cyclopentane-1-carboxylic acid
CID 126450530
1-(pentan-3-ylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 61186660
1-(butan-2-ylamino)cyclohexane-1-carboxylic acid
CID 61024667

Frequently Asked Questions

What is the IUPAC name of 1-[(3-ethyl-4-methylpentanoyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[(3-ethyl-4-methylpentanoyl)amino]cyclopentane-1-carboxylic acid (CID 119176447) is 1-[(3-ethyl-4-methylpentanoyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[(3-ethyl-4-methylpentanoyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[(3-ethyl-4-methylpentanoyl)amino]cyclopentane-1-carboxylic acid is CCC(CC(=O)NC1(C(=O)O)CCCC1)C(C)C.
What is the InChIKey of 1-[(3-ethyl-4-methylpentanoyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is BPHRGZSZLKXKRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-4-11(10(2)3)9-12(16)15-14(13(17)18)7-5-6-8-14/h10-11H,4-9H2,1-3H3,(H,15,16)(H,17,18).
What are the key properties of 1-[(3-ethyl-4-methylpentanoyl)amino]cyclopentane-1-carboxylic acid?
1-[(3-ethyl-4-methylpentanoyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 255.36 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-ethyl-4-methylpentanoyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 119176447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).