2-[(2S)-pyrrolidin-2-yl]acetic acid

C6H11NO2 — CID 2761541

IUPAC2-[(2S)-pyrrolidin-2-yl]acetic acid
SMILESO=C(O)C[C@@H]1CCCN1
InChIInChI=1S/C6H11NO2/c8-6(9)4-5-2-1-3-7-5/h5,7H,1-4H2,(H,8,9)/t5-/m0/s1
InChIKeyADSALMJPJUKESW-YFKPBYRVSA-N
MW129.16 g/mol
LogP0.21
Rot. Bonds2

About 2-[(2S)-pyrrolidin-2-yl]acetic acid

2-[(2S)-pyrrolidin-2-yl]acetic acid (PubChem CID 2761541) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is 2-[(2S)-pyrrolidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[(2S)-pyrrolidin-2-yl]acetic acid
PubChem CID2761541
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name2-[(2S)-pyrrolidin-2-yl]acetic acid
SMILESO=C(O)C[C@@H]1CCCN1
InChIInChI=1S/C6H11NO2/c8-6(9)4-5-2-1-3-7-5/h5,7H,1-4H2,(H,8,9)/t5-/m0/s1
InChIKeyADSALMJPJUKESW-YFKPBYRVSA-N
XLogP0.21
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-pyrrolidin-2-yl]acetic acid?
The IUPAC name of 2-[(2S)-pyrrolidin-2-yl]acetic acid (CID 2761541) is 2-[(2S)-pyrrolidin-2-yl]acetic acid.
What is the SMILES notation for 2-[(2S)-pyrrolidin-2-yl]acetic acid?
The canonical SMILES for 2-[(2S)-pyrrolidin-2-yl]acetic acid is O=C(O)C[C@@H]1CCCN1.
What is the InChIKey of 2-[(2S)-pyrrolidin-2-yl]acetic acid?
The InChIKey is ADSALMJPJUKESW-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H11NO2/c8-6(9)4-5-2-1-3-7-5/h5,7H,1-4H2,(H,8,9)/t5-/m0/s1.
What are the key properties of 2-[(2S)-pyrrolidin-2-yl]acetic acid?
2-[(2S)-pyrrolidin-2-yl]acetic acid has a molecular weight of 129.16 g/mol, XLogP of 0.21, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-pyrrolidin-2-yl]acetic acid is sourced from PubChem (CID 2761541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).