(2S)-pyrrolidin-1-ium-2-carboxylic acid

C5H10NO2+ — CID 5460775

IUPAC(2S)-pyrrolidin-1-ium-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCC[NH2+]1
InChIInChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/p+1/t4-/m0/s1
InChIKeyONIBWKKTOPOVIA-BYPYZUCNSA-O
MW116.14 g/mol
LogP-1.20
Rot. Bonds1

About (2S)-pyrrolidin-1-ium-2-carboxylic acid

(2S)-pyrrolidin-1-ium-2-carboxylic acid (PubChem CID 5460775) has the molecular formula C5H10NO2+ and a molecular weight of 116.14 g/mol. Its IUPAC name is (2S)-pyrrolidin-1-ium-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-pyrrolidin-1-ium-2-carboxylic acid
PubChem CID5460775
Molecular FormulaC5H10NO2+
Molecular Weight116.14 g/mol
Exact Mass116.07
IUPAC Name(2S)-pyrrolidin-1-ium-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCC[NH2+]1
InChIInChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/p+1/t4-/m0/s1
InChIKeyONIBWKKTOPOVIA-BYPYZUCNSA-O
XLogP-1.20
TPSA53.91 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.14
LogP ≤ 5-1.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S)-pyrrolidin-1-ium-2-carboxylic acid?
The IUPAC name of (2S)-pyrrolidin-1-ium-2-carboxylic acid (CID 5460775) is (2S)-pyrrolidin-1-ium-2-carboxylic acid.
What is the SMILES notation for (2S)-pyrrolidin-1-ium-2-carboxylic acid?
The canonical SMILES for (2S)-pyrrolidin-1-ium-2-carboxylic acid is O=C(O)[C@@H]1CCC[NH2+]1.
What is the InChIKey of (2S)-pyrrolidin-1-ium-2-carboxylic acid?
The InChIKey is ONIBWKKTOPOVIA-BYPYZUCNSA-O. The full InChI is InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/p+1/t4-/m0/s1.
What are the key properties of (2S)-pyrrolidin-1-ium-2-carboxylic acid?
(2S)-pyrrolidin-1-ium-2-carboxylic acid has a molecular weight of 116.14 g/mol, XLogP of -1.20, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-pyrrolidin-1-ium-2-carboxylic acid is sourced from PubChem (CID 5460775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).