(2R)-2,5-dihydro-1H-pyrrole-2-carboxylic acid

C5H7NO2 — CID 6994108

IUPAC(2R)-2,5-dihydro-1H-pyrrole-2-carboxylic acid
SMILESO=C(O)[C@H]1C=CCN1
InChIInChI=1S/C5H7NO2/c7-5(8)4-2-1-3-6-4/h1-2,4,6H,3H2,(H,7,8)/t4-/m1/s1
InChIKeyOMGHIGVFLOPEHJ-SCSAIBSYSA-N
MW113.12 g/mol
LogP-0.40
Rot. Bonds1

About (2R)-2,5-dihydro-1H-pyrrole-2-carboxylic acid

(2R)-2,5-dihydro-1H-pyrrole-2-carboxylic acid (PubChem CID 6994108) has the molecular formula C5H7NO2 and a molecular weight of 113.12 g/mol. Its IUPAC name is (2R)-2,5-dihydro-1H-pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-2,5-dihydro-1H-pyrrole-2-carboxylic acid
PubChem CID6994108
Molecular FormulaC5H7NO2
Molecular Weight113.12 g/mol
Exact Mass113.05
IUPAC Name(2R)-2,5-dihydro-1H-pyrrole-2-carboxylic acid
SMILESO=C(O)[C@H]1C=CCN1
InChIInChI=1S/C5H7NO2/c7-5(8)4-2-1-3-6-4/h1-2,4,6H,3H2,(H,7,8)/t4-/m1/s1
InChIKeyOMGHIGVFLOPEHJ-SCSAIBSYSA-N
XLogP-0.40
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.12
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3,4-Dehydro-L-proline
CID 94284
3,4-Dehydroproline
CID 97858
1,2,3,6-Tetrahydro-2-pyridinecarboxylic acid
CID 557590
(S)-4,5-Didehydropipecolic acid
CID 441442
Methyl (2S)-2,5-dihydro-1H-pyrrole-2-carboxylate
CID 6951095
2-methyl-2,5-dihydro-1H-pyrrole-2-carboxylic acid hydrochloride
CID 155819897
(2S)-4-(trifluoromethyl)-2,5-dihydro-1H-pyrrole-2-carboxylic acid
CID 132561676
1,2-Dihydropyridine-2-carboxylic acid
CID 5232777
5-Oxo-1,2-dihydropyrrole-2-carboxylic acid
CID 15202857
Methylene cyclopropylalanine
CID 129713697
2-Pyridinecarboxylic acid, 1,2,3,6-tetrahydro-, hydrochloride (1:1)
CID 67783700
1-Fluoro-2,5-dihydropyrrole-2-carboxylic acid
CID 89018780

Frequently Asked Questions

What is the IUPAC name of (2R)-2,5-dihydro-1H-pyrrole-2-carboxylic acid?
The IUPAC name of (2R)-2,5-dihydro-1H-pyrrole-2-carboxylic acid (CID 6994108) is (2R)-2,5-dihydro-1H-pyrrole-2-carboxylic acid.
What is the SMILES notation for (2R)-2,5-dihydro-1H-pyrrole-2-carboxylic acid?
The canonical SMILES for (2R)-2,5-dihydro-1H-pyrrole-2-carboxylic acid is O=C(O)[C@H]1C=CCN1.
What is the InChIKey of (2R)-2,5-dihydro-1H-pyrrole-2-carboxylic acid?
The InChIKey is OMGHIGVFLOPEHJ-SCSAIBSYSA-N. The full InChI is InChI=1S/C5H7NO2/c7-5(8)4-2-1-3-6-4/h1-2,4,6H,3H2,(H,7,8)/t4-/m1/s1.
What are the key properties of (2R)-2,5-dihydro-1H-pyrrole-2-carboxylic acid?
(2R)-2,5-dihydro-1H-pyrrole-2-carboxylic acid has a molecular weight of 113.12 g/mol, XLogP of -0.40, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2,5-dihydro-1H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 6994108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).