(3S)-3-hydroxy-2,3-dihydropyrrole-1-carboxylic acid

C5H7NO3 — CID 68846052

IUPAC(3S)-3-hydroxy-2,3-dihydropyrrole-1-carboxylic acid
SMILESO=C(O)N1C=C[C@H](O)C1
InChIInChI=1S/C5H7NO3/c7-4-1-2-6(3-4)5(8)9/h1-2,4,7H,3H2,(H,8,9)/t4-/m0/s1
InChIKeyCWRATEHADDCMEX-BYPYZUCNSA-N
MW129.11 g/mol
LogP-0.15
Rot. Bonds

About (3S)-3-hydroxy-2,3-dihydropyrrole-1-carboxylic acid

(3S)-3-hydroxy-2,3-dihydropyrrole-1-carboxylic acid (PubChem CID 68846052) has the molecular formula C5H7NO3 and a molecular weight of 129.11 g/mol. Its IUPAC name is (3S)-3-hydroxy-2,3-dihydropyrrole-1-carboxylic acid.

Molecular Properties

Compound Name(3S)-3-hydroxy-2,3-dihydropyrrole-1-carboxylic acid
PubChem CID68846052
Molecular FormulaC5H7NO3
Molecular Weight129.11 g/mol
Exact Mass129.04
IUPAC Name(3S)-3-hydroxy-2,3-dihydropyrrole-1-carboxylic acid
SMILESO=C(O)N1C=C[C@H](O)C1
InChIInChI=1S/C5H7NO3/c7-4-1-2-6(3-4)5(8)9/h1-2,4,7H,3H2,(H,8,9)/t4-/m0/s1
InChIKeyCWRATEHADDCMEX-BYPYZUCNSA-N
XLogP-0.15
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.11
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-hydroxy-2,3-dihydropyrrole-1-carboxylic acid?
The IUPAC name of (3S)-3-hydroxy-2,3-dihydropyrrole-1-carboxylic acid (CID 68846052) is (3S)-3-hydroxy-2,3-dihydropyrrole-1-carboxylic acid.
What is the SMILES notation for (3S)-3-hydroxy-2,3-dihydropyrrole-1-carboxylic acid?
The canonical SMILES for (3S)-3-hydroxy-2,3-dihydropyrrole-1-carboxylic acid is O=C(O)N1C=C[C@H](O)C1.
What is the InChIKey of (3S)-3-hydroxy-2,3-dihydropyrrole-1-carboxylic acid?
The InChIKey is CWRATEHADDCMEX-BYPYZUCNSA-N. The full InChI is InChI=1S/C5H7NO3/c7-4-1-2-6(3-4)5(8)9/h1-2,4,7H,3H2,(H,8,9)/t4-/m0/s1.
What are the key properties of (3S)-3-hydroxy-2,3-dihydropyrrole-1-carboxylic acid?
(3S)-3-hydroxy-2,3-dihydropyrrole-1-carboxylic acid has a molecular weight of 129.11 g/mol, XLogP of -0.15, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-hydroxy-2,3-dihydropyrrole-1-carboxylic acid is sourced from PubChem (CID 68846052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).