2-[1-(2-cyclopentylacetyl)pyrrolidin-2-yl]acetic acid

C13H21NO3 — CID 61370257

IUPAC2-[1-(2-cyclopentylacetyl)pyrrolidin-2-yl]acetic acid
SMILESO=C(O)CC1CCCN1C(=O)CC1CCCC1
InChIInChI=1S/C13H21NO3/c15-12(8-10-4-1-2-5-10)14-7-3-6-11(14)9-13(16)17/h10-11H,1-9H2,(H,16,17)
InChIKeySYNMXFVPABCVBA-UHFFFAOYSA-N
MW239.31 g/mol
LogP2.03
Rot. Bonds4

About 2-[1-(2-cyclopentylacetyl)pyrrolidin-2-yl]acetic acid

2-[1-(2-cyclopentylacetyl)pyrrolidin-2-yl]acetic acid (PubChem CID 61370257) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is 2-[1-(2-cyclopentylacetyl)pyrrolidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(2-cyclopentylacetyl)pyrrolidin-2-yl]acetic acid
PubChem CID61370257
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name2-[1-(2-cyclopentylacetyl)pyrrolidin-2-yl]acetic acid
SMILESO=C(O)CC1CCCN1C(=O)CC1CCCC1
InChIInChI=1S/C13H21NO3/c15-12(8-10-4-1-2-5-10)14-7-3-6-11(14)9-13(16)17/h10-11H,1-9H2,(H,16,17)
InChIKeySYNMXFVPABCVBA-UHFFFAOYSA-N
XLogP2.03
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(aminomethyl)pyrrolidin-1-yl]-2-cycloheptylethanone
CID 113265851
1-[1-(2-cycloheptylacetyl)azepan-2-yl]propan-2-one
CID 114457934
1-[1-(2-cyclohexylacetyl)azepan-2-yl]propan-2-one
CID 79552906
2-cyclopentyl-1-[2-(methylaminomethyl)pyrrolidin-1-yl]ethanone
CID 81425480
2-[4-(2-cycloheptylacetyl)thiomorpholin-3-yl]acetic acid
CID 115909820
1-[2-(3-aminopropyl)pyrrolidin-1-yl]-2-cyclohexylethanone
CID 55241586
2-(1-butanoylpiperidin-2-yl)acetic acid
CID 61010375
1-[1-(2-cyclopropylacetyl)azepan-2-yl]propan-2-one
CID 79553061
2-[1-[2-(4-aminopiperidin-1-yl)acetyl]pyrrolidin-2-yl]acetic acid
CID 79327798
3-[(2S)-1-[2-(thian-4-yl)acetyl]piperidin-2-yl]propanoic acid
CID 124596541
2-[1-(2-piperazin-1-ylacetyl)pyrrolidin-2-yl]acetic acid
CID 61371940
2-[1-(cyclobutylmethylcarbamoyl)piperidin-2-yl]acetic acid
CID 61197423

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-cyclopentylacetyl)pyrrolidin-2-yl]acetic acid?
The IUPAC name of 2-[1-(2-cyclopentylacetyl)pyrrolidin-2-yl]acetic acid (CID 61370257) is 2-[1-(2-cyclopentylacetyl)pyrrolidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-(2-cyclopentylacetyl)pyrrolidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-(2-cyclopentylacetyl)pyrrolidin-2-yl]acetic acid is O=C(O)CC1CCCN1C(=O)CC1CCCC1.
What is the InChIKey of 2-[1-(2-cyclopentylacetyl)pyrrolidin-2-yl]acetic acid?
The InChIKey is SYNMXFVPABCVBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c15-12(8-10-4-1-2-5-10)14-7-3-6-11(14)9-13(16)17/h10-11H,1-9H2,(H,16,17).
What are the key properties of 2-[1-(2-cyclopentylacetyl)pyrrolidin-2-yl]acetic acid?
2-[1-(2-cyclopentylacetyl)pyrrolidin-2-yl]acetic acid has a molecular weight of 239.31 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-cyclopentylacetyl)pyrrolidin-2-yl]acetic acid is sourced from PubChem (CID 61370257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).