(213C)azolidine-2-carboxylic acid

C5H9NO2 — CID 10290769

IUPAC(213C)azolidine-2-carboxylic acid
SMILESO=C(O)[13CH]1CCCN1
InChIInChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/i4+1
InChIKeyONIBWKKTOPOVIA-AZXPZELESA-N
MW116.12 g/mol
LogP-0.18
Rot. Bonds1

About (213C)azolidine-2-carboxylic acid

(213C)azolidine-2-carboxylic acid (PubChem CID 10290769) has the molecular formula C5H9NO2 and a molecular weight of 116.12 g/mol. Its IUPAC name is (213C)azolidine-2-carboxylic acid.

Molecular Properties

Compound Name(213C)azolidine-2-carboxylic acid
PubChem CID10290769
Molecular FormulaC5H9NO2
Molecular Weight116.12 g/mol
Exact Mass116.07
IUPAC Name(213C)azolidine-2-carboxylic acid
SMILESO=C(O)[13CH]1CCCN1
InChIInChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/i4+1
InChIKeyONIBWKKTOPOVIA-AZXPZELESA-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 ≤ 500116.12
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
pyrrolidine-2-carboxylic acid
CID 614
argon;(2S)-pyrrolidine-2-carboxylic acid
CID 160825816
pyrrolidine-2-carboxylic acid;yttrium
CID 21344974
potassium (2R)-pyrrolidine-2-carboxylic acid
CID 177481174
(2R)-pyrrolidine-2-carboxylic acid;zinc
CID 175434284
bis((2S)-pyrrolidine-2-carboxylic acid);hydrate
CID 67110713
pyrrolidine-2-carboxylic acid;silver
CID 87701112
carbonic acid;(2S)-pyrrolidine-2-carboxylic acid
CID 70552648
CID 145362144
CID 145362144
(2S,6S)-1,5-diazonane-2,6-dicarboxylic acid
CID 70834767
aluminum;pyrrolidine-2-carboxylic acid;zirconium(2+)
CID 19939640

Frequently Asked Questions

What is the IUPAC name of (213C)azolidine-2-carboxylic acid?
The IUPAC name of (213C)azolidine-2-carboxylic acid (CID 10290769) is (213C)azolidine-2-carboxylic acid.
What is the SMILES notation for (213C)azolidine-2-carboxylic acid?
The canonical SMILES for (213C)azolidine-2-carboxylic acid is O=C(O)[13CH]1CCCN1.
What is the InChIKey of (213C)azolidine-2-carboxylic acid?
The InChIKey is ONIBWKKTOPOVIA-AZXPZELESA-N. The full InChI is InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/i4+1.
What are the key properties of (213C)azolidine-2-carboxylic acid?
(213C)azolidine-2-carboxylic acid has a molecular weight of 116.12 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 (213C)azolidine-2-carboxylic acid is sourced from PubChem (CID 10290769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).