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

C5H7NO2 — CID 1196

IUPAC3,4-dihydro-2H-pyrrole-2-carboxylic acid
SMILESO=C(O)C1CCC=N1
InChIInChI=1S/C5H7NO2/c7-5(8)4-2-1-3-6-4/h3-4H,1-2H2,(H,7,8)
InChIKeyDWAKNKKXGALPNW-UHFFFAOYSA-N
MW113.12 g/mol
LogP0.30
Rot. Bonds1

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

3,4-dihydro-2H-pyrrole-2-carboxylic acid (PubChem CID 1196) has the molecular formula C5H7NO2 and a molecular weight of 113.12 g/mol. Its IUPAC name is 3,4-dihydro-2H-pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name3,4-dihydro-2H-pyrrole-2-carboxylic acid
PubChem CID1196
Molecular FormulaC5H7NO2
Molecular Weight113.12 g/mol
Exact Mass113.05
IUPAC Name3,4-dihydro-2H-pyrrole-2-carboxylic acid
SMILESO=C(O)C1CCC=N1
InChIInChI=1S/C5H7NO2/c7-5(8)4-2-1-3-6-4/h3-4H,1-2H2,(H,7,8)
InChIKeyDWAKNKKXGALPNW-UHFFFAOYSA-N
XLogP0.30
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.12
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(S)-1-Pyrroline-5-carboxylate
CID 440162
delta1-Piperidine-6-carboxylic acid
CID 165067
(2S)-2,3,4,5-Tetrahydropyridine-2-carboxylic acid
CID 24771808
1-Pyrroline-5-carboxylate
CID 11966213
(2S)-3,4-dihydro-2H-pyrrole-2-carboxylate
CID 11966181
(2S)-3,4-dihydro-2H-pyrrol-1-ium-2-carboxylic acid
CID 162401953
3-methyl-3,4-dihydro-2H-pyrrole-2-carboxylic acid
CID 67446336
2-Methyl-3,4-dihydropyrrole-2-carboxylic acid
CID 91365567
(2R)-3,4-dihydro-2H-pyrrole-2-carboxylic acid
CID 11966288
sodium 2-carboxy-3,4-dihydro-2H-pyrrol-5-olate
CID 101314977
potassium (2S)-2-carboxy-3,4-dihydro-2H-pyrrol-5-olate
CID 101835231
Sodium (S)-5-oxopyrrolidine-2-carboxylate
CID 101835649

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-pyrrole-2-carboxylic acid?
The IUPAC name of 3,4-dihydro-2H-pyrrole-2-carboxylic acid (CID 1196) is 3,4-dihydro-2H-pyrrole-2-carboxylic acid.
What is the SMILES notation for 3,4-dihydro-2H-pyrrole-2-carboxylic acid?
The canonical SMILES for 3,4-dihydro-2H-pyrrole-2-carboxylic acid is O=C(O)C1CCC=N1.
What is the InChIKey of 3,4-dihydro-2H-pyrrole-2-carboxylic acid?
The InChIKey is DWAKNKKXGALPNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO2/c7-5(8)4-2-1-3-6-4/h3-4H,1-2H2,(H,7,8).
What are the key properties of 3,4-dihydro-2H-pyrrole-2-carboxylic acid?
3,4-dihydro-2H-pyrrole-2-carboxylic acid has a molecular weight of 113.12 g/mol, XLogP of 0.30, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 1196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).