3-(4-methylpentanoylamino)cyclopentane-1-carboxylic acid

C12H21NO3 — CID 66030515

IUPAC3-(4-methylpentanoylamino)cyclopentane-1-carboxylic acid
SMILESCC(C)CCC(=O)NC1CCC(C(=O)O)C1
InChIInChI=1S/C12H21NO3/c1-8(2)3-6-11(14)13-10-5-4-9(7-10)12(15)16/h8-10H,3-7H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyDOAVHPNBCWDKHV-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.79
Rot. Bonds5

About 3-(4-methylpentanoylamino)cyclopentane-1-carboxylic acid

3-(4-methylpentanoylamino)cyclopentane-1-carboxylic acid (PubChem CID 66030515) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is 3-(4-methylpentanoylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-(4-methylpentanoylamino)cyclopentane-1-carboxylic acid
PubChem CID66030515
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name3-(4-methylpentanoylamino)cyclopentane-1-carboxylic acid
SMILESCC(C)CCC(=O)NC1CCC(C(=O)O)C1
InChIInChI=1S/C12H21NO3/c1-8(2)3-6-11(14)13-10-5-4-9(7-10)12(15)16/h8-10H,3-7H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyDOAVHPNBCWDKHV-UHFFFAOYSA-N
XLogP1.79
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(5-methylhexanoylamino)cyclohexane-1-carboxylic acid
CID 115277307
cis-(1R,3S)-3-(3-propan-2-yloxypropanoylamino)cyclopentane-1-carboxylic acid
CID 120678543
cis-(1S,3R)-3-(4-propan-2-yloxybutanoylamino)cyclopentane-1-carboxylic acid
CID 120690511
3-(hexanoylamino)cyclopentane-1-carboxylic acid
CID 66030150
cis-(1R,3S)-3-(hexanoylamino)cyclopentane-1-carboxylic acid
CID 106320393
3-[bis(2-methylpropyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 66032816
cis-(1S,3R)-3-[[2-(2-methylpropylsulfonyl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 120676145
cis-(1S,3R)-3-(4,4,4-trifluorobutanoylamino)cyclopentane-1-carboxylic acid
CID 120676611
cis-(1S,3R)-3-(3-ethoxypropanoylamino)cyclopentane-1-carboxylic acid
CID 120675923
3-(3,4,4-trimethylpentanoylamino)cyclopentane-1-carboxylic acid
CID 66031744
2-[4-(4-methylpentanoylamino)cyclohexyl]acetic acid
CID 116817186
cis-(1R,3S)-3-(5-aminopentanoylamino)cyclopentane-1-carboxylic acid
CID 106322808

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpentanoylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of 3-(4-methylpentanoylamino)cyclopentane-1-carboxylic acid (CID 66030515) is 3-(4-methylpentanoylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-(4-methylpentanoylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-(4-methylpentanoylamino)cyclopentane-1-carboxylic acid is CC(C)CCC(=O)NC1CCC(C(=O)O)C1.
What is the InChIKey of 3-(4-methylpentanoylamino)cyclopentane-1-carboxylic acid?
The InChIKey is DOAVHPNBCWDKHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-8(2)3-6-11(14)13-10-5-4-9(7-10)12(15)16/h8-10H,3-7H2,1-2H3,(H,13,14)(H,15,16).
What are the key properties of 3-(4-methylpentanoylamino)cyclopentane-1-carboxylic acid?
3-(4-methylpentanoylamino)cyclopentane-1-carboxylic acid has a molecular weight of 227.30 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpentanoylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 66030515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).