2-[(2R)-pyrrolidin-2-yl]butanoic acid

C8H15NO2 — CID 118727493

IUPAC2-[(2R)-pyrrolidin-2-yl]butanoic acid
SMILESCCC(C(=O)O)[C@H]1CCCN1
InChIInChI=1S/C8H15NO2/c1-2-6(8(10)11)7-4-3-5-9-7/h6-7,9H,2-5H2,1H3,(H,10,11)/t6?,7-/m1/s1
InChIKeyAARMZQVQIDCFDD-COBSHVIPSA-N
MW157.21 g/mol
LogP0.85
Rot. Bonds3

About 2-[(2R)-pyrrolidin-2-yl]butanoic acid

2-[(2R)-pyrrolidin-2-yl]butanoic acid (PubChem CID 118727493) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 2-[(2R)-pyrrolidin-2-yl]butanoic acid.

Molecular Properties

Compound Name2-[(2R)-pyrrolidin-2-yl]butanoic acid
PubChem CID118727493
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name2-[(2R)-pyrrolidin-2-yl]butanoic acid
SMILESCCC(C(=O)O)[C@H]1CCCN1
InChIInChI=1S/C8H15NO2/c1-2-6(8(10)11)7-4-3-5-9-7/h6-7,9H,2-5H2,1H3,(H,10,11)/t6?,7-/m1/s1
InChIKeyAARMZQVQIDCFDD-COBSHVIPSA-N
XLogP0.85
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-pyrrolidin-2-yl]butanoic acid?
The IUPAC name of 2-[(2R)-pyrrolidin-2-yl]butanoic acid (CID 118727493) is 2-[(2R)-pyrrolidin-2-yl]butanoic acid.
What is the SMILES notation for 2-[(2R)-pyrrolidin-2-yl]butanoic acid?
The canonical SMILES for 2-[(2R)-pyrrolidin-2-yl]butanoic acid is CCC(C(=O)O)[C@H]1CCCN1.
What is the InChIKey of 2-[(2R)-pyrrolidin-2-yl]butanoic acid?
The InChIKey is AARMZQVQIDCFDD-COBSHVIPSA-N. The full InChI is InChI=1S/C8H15NO2/c1-2-6(8(10)11)7-4-3-5-9-7/h6-7,9H,2-5H2,1H3,(H,10,11)/t6?,7-/m1/s1.
What are the key properties of 2-[(2R)-pyrrolidin-2-yl]butanoic acid?
2-[(2R)-pyrrolidin-2-yl]butanoic acid has a molecular weight of 157.21 g/mol, XLogP of 0.85, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-pyrrolidin-2-yl]butanoic acid is sourced from PubChem (CID 118727493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).