pyrrolidine-2-carboxylic acid

C5H9NO2 — CID 614

IUPACpyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1
InChIInChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)
InChIKeyONIBWKKTOPOVIA-UHFFFAOYSA-N
MW115.13 g/mol
LogP-0.18
Rot. Bonds1

About pyrrolidine-2-carboxylic acid

pyrrolidine-2-carboxylic acid (PubChem CID 614) has the molecular formula C5H9NO2 and a molecular weight of 115.13 g/mol. Its IUPAC name is pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Namepyrrolidine-2-carboxylic acid
PubChem CID614
Molecular FormulaC5H9NO2
Molecular Weight115.13 g/mol
Exact Mass115.06
IUPAC Namepyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1
InChIInChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)
InChIKeyONIBWKKTOPOVIA-UHFFFAOYSA-N
XLogP-0.18
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.13
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

hydrogen peroxide;(2S)-pyrrolidine-2-carboxylic acid
CID 158114560
(213C)azolidine-2-carboxylic acid
CID 10290769
argon;(2S)-pyrrolidine-2-carboxylic acid
CID 160825816
(2R)-pyrrolidine-2-carboxylic acid;zinc
CID 175434284
bis((2S)-pyrrolidine-2-carboxylic acid);hydrate
CID 67110713
pyrrolidine-2-carboxylic acid;yttrium
CID 21344974
potassium (2R)-pyrrolidine-2-carboxylic acid
CID 177481174
pyrrolidine-2-carboxylic acid;silver
CID 87701112
carbonic acid;(2S)-pyrrolidine-2-carboxylic acid
CID 70552648
nitroxyl;(2S)-pyrrolidine-2-carboxylic acid
CID 145376752
CID 145362144
CID 145362144
(2S,6S)-1,5-diazonane-2,6-dicarboxylic acid
CID 70834767

Frequently Asked Questions

What is the IUPAC name of pyrrolidine-2-carboxylic acid?
The IUPAC name of pyrrolidine-2-carboxylic acid (CID 614) is pyrrolidine-2-carboxylic acid.
What is the SMILES notation for pyrrolidine-2-carboxylic acid?
The canonical SMILES for pyrrolidine-2-carboxylic acid is O=C(O)C1CCCN1.
What is the InChIKey of pyrrolidine-2-carboxylic acid?
The InChIKey is ONIBWKKTOPOVIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8).
What are the key properties of pyrrolidine-2-carboxylic acid?
pyrrolidine-2-carboxylic acid has a molecular weight of 115.13 g/mol, XLogP of -0.18, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).