(3S,4S)-1-cyclopentyl-4-cyclopropylpyrrolidine-3-carboxylic acid

C13H21NO2 — CID 72868372

IUPAC(3S,4S)-1-cyclopentyl-4-cyclopropylpyrrolidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CN(C2CCCC2)C[C@H]1C1CC1
InChIInChI=1S/C13H21NO2/c15-13(16)12-8-14(10-3-1-2-4-10)7-11(12)9-5-6-9/h9-12H,1-8H2,(H,15,16)/t11-,12+/m0/s1
InChIKeyYIRUSRMADYOBLP-NWDGAFQWSA-N
MW223.32 g/mol
LogP1.97
Rot. Bonds3

About (3S,4S)-1-cyclopentyl-4-cyclopropylpyrrolidine-3-carboxylic acid

(3S,4S)-1-cyclopentyl-4-cyclopropylpyrrolidine-3-carboxylic acid (PubChem CID 72868372) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is (3S,4S)-1-cyclopentyl-4-cyclopropylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S,4S)-1-cyclopentyl-4-cyclopropylpyrrolidine-3-carboxylic acid
PubChem CID72868372
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name(3S,4S)-1-cyclopentyl-4-cyclopropylpyrrolidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CN(C2CCCC2)C[C@H]1C1CC1
InChIInChI=1S/C13H21NO2/c15-13(16)12-8-14(10-3-1-2-4-10)7-11(12)9-5-6-9/h9-12H,1-8H2,(H,15,16)/t11-,12+/m0/s1
InChIKeyYIRUSRMADYOBLP-NWDGAFQWSA-N
XLogP1.97
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-1-cyclopentyl-4-cyclopropylpyrrolidine-3-carboxylic acid?
The IUPAC name of (3S,4S)-1-cyclopentyl-4-cyclopropylpyrrolidine-3-carboxylic acid (CID 72868372) is (3S,4S)-1-cyclopentyl-4-cyclopropylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3S,4S)-1-cyclopentyl-4-cyclopropylpyrrolidine-3-carboxylic acid?
The canonical SMILES for (3S,4S)-1-cyclopentyl-4-cyclopropylpyrrolidine-3-carboxylic acid is O=C(O)[C@@H]1CN(C2CCCC2)C[C@H]1C1CC1.
What is the InChIKey of (3S,4S)-1-cyclopentyl-4-cyclopropylpyrrolidine-3-carboxylic acid?
The InChIKey is YIRUSRMADYOBLP-NWDGAFQWSA-N. The full InChI is InChI=1S/C13H21NO2/c15-13(16)12-8-14(10-3-1-2-4-10)7-11(12)9-5-6-9/h9-12H,1-8H2,(H,15,16)/t11-,12+/m0/s1.
What are the key properties of (3S,4S)-1-cyclopentyl-4-cyclopropylpyrrolidine-3-carboxylic acid?
(3S,4S)-1-cyclopentyl-4-cyclopropylpyrrolidine-3-carboxylic acid has a molecular weight of 223.32 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-1-cyclopentyl-4-cyclopropylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 72868372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).