3-hydroxy-3,4-dihydro-2H-pyrrole-2-carboxylic acid

C5H7NO3 — CID 89427912

IUPAC3-hydroxy-3,4-dihydro-2H-pyrrole-2-carboxylic acid
SMILESO=C(O)C1N=CCC1O
InChIInChI=1S/C5H7NO3/c7-3-1-2-6-4(3)5(8)9/h2-4,7H,1H2,(H,8,9)
InChIKeyZJDFTCVQOGUWHS-UHFFFAOYSA-N
MW129.11 g/mol
LogP-0.73
Rot. Bonds1

About 3-hydroxy-3,4-dihydro-2H-pyrrole-2-carboxylic acid

3-hydroxy-3,4-dihydro-2H-pyrrole-2-carboxylic acid (PubChem CID 89427912) has the molecular formula C5H7NO3 and a molecular weight of 129.11 g/mol. Its IUPAC name is 3-hydroxy-3,4-dihydro-2H-pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name3-hydroxy-3,4-dihydro-2H-pyrrole-2-carboxylic acid
PubChem CID89427912
Molecular FormulaC5H7NO3
Molecular Weight129.11 g/mol
Exact Mass129.04
IUPAC Name3-hydroxy-3,4-dihydro-2H-pyrrole-2-carboxylic acid
SMILESO=C(O)C1N=CCC1O
InChIInChI=1S/C5H7NO3/c7-3-1-2-6-4(3)5(8)9/h2-4,7H,1H2,(H,8,9)
InChIKeyZJDFTCVQOGUWHS-UHFFFAOYSA-N
XLogP-0.73
TPSA69.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.11
LogP ≤ 5-0.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3,4-dihydro-2H-pyrrole-2-carboxylic acid?
The IUPAC name of 3-hydroxy-3,4-dihydro-2H-pyrrole-2-carboxylic acid (CID 89427912) is 3-hydroxy-3,4-dihydro-2H-pyrrole-2-carboxylic acid.
What is the SMILES notation for 3-hydroxy-3,4-dihydro-2H-pyrrole-2-carboxylic acid?
The canonical SMILES for 3-hydroxy-3,4-dihydro-2H-pyrrole-2-carboxylic acid is O=C(O)C1N=CCC1O.
What is the InChIKey of 3-hydroxy-3,4-dihydro-2H-pyrrole-2-carboxylic acid?
The InChIKey is ZJDFTCVQOGUWHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO3/c7-3-1-2-6-4(3)5(8)9/h2-4,7H,1H2,(H,8,9).
What are the key properties of 3-hydroxy-3,4-dihydro-2H-pyrrole-2-carboxylic acid?
3-hydroxy-3,4-dihydro-2H-pyrrole-2-carboxylic acid has a molecular weight of 129.11 g/mol, XLogP of -0.73, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3,4-dihydro-2H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 89427912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).