2-[1-(3-cyclopentylpropanoylamino)cyclopentyl]acetic acid

C15H25NO3 — CID 64671798

IUPAC2-[1-(3-cyclopentylpropanoylamino)cyclopentyl]acetic acid
SMILESO=C(O)CC1(NC(=O)CCC2CCCC2)CCCC1
InChIInChI=1S/C15H25NO3/c17-13(8-7-12-5-1-2-6-12)16-15(11-14(18)19)9-3-4-10-15/h12H,1-11H2,(H,16,17)(H,18,19)
InChIKeySVPGDUOUOHHUDZ-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.86
Rot. Bonds6

About 2-[1-(3-cyclopentylpropanoylamino)cyclopentyl]acetic acid

2-[1-(3-cyclopentylpropanoylamino)cyclopentyl]acetic acid (PubChem CID 64671798) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 2-[1-(3-cyclopentylpropanoylamino)cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-(3-cyclopentylpropanoylamino)cyclopentyl]acetic acid
PubChem CID64671798
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name2-[1-(3-cyclopentylpropanoylamino)cyclopentyl]acetic acid
SMILESO=C(O)CC1(NC(=O)CCC2CCCC2)CCCC1
InChIInChI=1S/C15H25NO3/c17-13(8-7-12-5-1-2-6-12)16-15(11-14(18)19)9-3-4-10-15/h12H,1-11H2,(H,16,17)(H,18,19)
InChIKeySVPGDUOUOHHUDZ-UHFFFAOYSA-N
XLogP2.86
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclohexyl-N-[1-(hydroxymethyl)cyclohexyl]propanamide
CID 62519861
3-cyclohexyl-N-[1-(hydroxymethyl)cyclopentyl]propanamide
CID 62517314
3-cyclohexyl-N-[1-(hydroxymethyl)cyclopropyl]propanamide
CID 115764878
2-[1-(2-cyclopentylethylcarbamoylamino)cyclopentyl]acetic acid
CID 64700859
N-[1-(aminomethyl)cyclopentyl]-3-cyclopropylpropanamide
CID 119565149
2-[1-(3-methylsulfanylpropanoylamino)cyclohexyl]acetic acid
CID 64671361
1-(3-cyclohexylpropanoylamino)cyclopentane-1-carboxylic acid
CID 43329530
3-cyclohexyl-N-[1-(hydroxymethyl)-4-methylcyclohexyl]propanamide
CID 62527693
2-[1-(4,4,4-trifluorobutanoylamino)cyclobutyl]acetic acid
CID 79848549
2-[1-[(4-amino-4-methylpentanoyl)amino]cyclopentyl]acetic acid
CID 64702299
2-[1-[4-(methylamino)butanoylamino]cyclopentyl]acetic acid
CID 64702109
2-[1-[3-(propan-2-ylamino)propanoylamino]cyclopentyl]acetic acid
CID 64702277

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-cyclopentylpropanoylamino)cyclopentyl]acetic acid?
The IUPAC name of 2-[1-(3-cyclopentylpropanoylamino)cyclopentyl]acetic acid (CID 64671798) is 2-[1-(3-cyclopentylpropanoylamino)cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-(3-cyclopentylpropanoylamino)cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-(3-cyclopentylpropanoylamino)cyclopentyl]acetic acid is O=C(O)CC1(NC(=O)CCC2CCCC2)CCCC1.
What is the InChIKey of 2-[1-(3-cyclopentylpropanoylamino)cyclopentyl]acetic acid?
The InChIKey is SVPGDUOUOHHUDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c17-13(8-7-12-5-1-2-6-12)16-15(11-14(18)19)9-3-4-10-15/h12H,1-11H2,(H,16,17)(H,18,19).
What are the key properties of 2-[1-(3-cyclopentylpropanoylamino)cyclopentyl]acetic acid?
2-[1-(3-cyclopentylpropanoylamino)cyclopentyl]acetic acid has a molecular weight of 267.37 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-cyclopentylpropanoylamino)cyclopentyl]acetic acid is sourced from PubChem (CID 64671798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).