(2R)-3,4-dihydro-2H-pyrrole-2-carboxylic acid

C5H7NO2 — CID 11966288

IUPAC(2R)-3,4-dihydro-2H-pyrrole-2-carboxylic acid
SMILESO=C(O)[C@H]1CCC=N1
InChIInChI=1S/C5H7NO2/c7-5(8)4-2-1-3-6-4/h3-4H,1-2H2,(H,7,8)/t4-/m1/s1
InChIKeyDWAKNKKXGALPNW-SCSAIBSYSA-N
MW113.12 g/mol
LogP0.30
Rot. Bonds1

About (2R)-3,4-dihydro-2H-pyrrole-2-carboxylic acid

(2R)-3,4-dihydro-2H-pyrrole-2-carboxylic acid (PubChem CID 11966288) has the molecular formula C5H7NO2 and a molecular weight of 113.12 g/mol. Its IUPAC name is (2R)-3,4-dihydro-2H-pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-3,4-dihydro-2H-pyrrole-2-carboxylic acid
PubChem CID11966288
Molecular FormulaC5H7NO2
Molecular Weight113.12 g/mol
Exact Mass113.05
IUPAC Name(2R)-3,4-dihydro-2H-pyrrole-2-carboxylic acid
SMILESO=C(O)[C@H]1CCC=N1
InChIInChI=1S/C5H7NO2/c7-5(8)4-2-1-3-6-4/h3-4H,1-2H2,(H,7,8)/t4-/m1/s1
InChIKeyDWAKNKKXGALPNW-SCSAIBSYSA-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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Frequently Asked Questions

What is the IUPAC name of (2R)-3,4-dihydro-2H-pyrrole-2-carboxylic acid?
The IUPAC name of (2R)-3,4-dihydro-2H-pyrrole-2-carboxylic acid (CID 11966288) is (2R)-3,4-dihydro-2H-pyrrole-2-carboxylic acid.
What is the SMILES notation for (2R)-3,4-dihydro-2H-pyrrole-2-carboxylic acid?
The canonical SMILES for (2R)-3,4-dihydro-2H-pyrrole-2-carboxylic acid is O=C(O)[C@H]1CCC=N1.
What is the InChIKey of (2R)-3,4-dihydro-2H-pyrrole-2-carboxylic acid?
The InChIKey is DWAKNKKXGALPNW-SCSAIBSYSA-N. The full InChI is InChI=1S/C5H7NO2/c7-5(8)4-2-1-3-6-4/h3-4H,1-2H2,(H,7,8)/t4-/m1/s1.
What are the key properties of (2R)-3,4-dihydro-2H-pyrrole-2-carboxylic acid?
(2R)-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 (2R)-3,4-dihydro-2H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 11966288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).