(2R)-4,5-dimethyl-2H-pyrrole-2-carboxylic acid

C7H9NO2 — CID 126422125

IUPAC(2R)-4,5-dimethyl-2H-pyrrole-2-carboxylic acid
SMILESCC1=C[C@H](C(=O)O)N=C1C
InChIInChI=1S/C7H9NO2/c1-4-3-6(7(9)10)8-5(4)2/h3,6H,1-2H3,(H,9,10)/t6-/m1/s1
InChIKeyGNZZTLBQNKJUIO-ZCFIWIBFSA-N
MW139.15 g/mol
LogP0.86
Rot. Bonds1

About (2R)-4,5-dimethyl-2H-pyrrole-2-carboxylic acid

(2R)-4,5-dimethyl-2H-pyrrole-2-carboxylic acid (PubChem CID 126422125) has the molecular formula C7H9NO2 and a molecular weight of 139.15 g/mol. Its IUPAC name is (2R)-4,5-dimethyl-2H-pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-4,5-dimethyl-2H-pyrrole-2-carboxylic acid
PubChem CID126422125
Molecular FormulaC7H9NO2
Molecular Weight139.15 g/mol
Exact Mass139.06
IUPAC Name(2R)-4,5-dimethyl-2H-pyrrole-2-carboxylic acid
SMILESCC1=C[C@H](C(=O)O)N=C1C
InChIInChI=1S/C7H9NO2/c1-4-3-6(7(9)10)8-5(4)2/h3,6H,1-2H3,(H,9,10)/t6-/m1/s1
InChIKeyGNZZTLBQNKJUIO-ZCFIWIBFSA-N
XLogP0.86
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.15
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-4,5-dimethyl-2H-pyrrole-2-carboxylic acid?
The IUPAC name of (2R)-4,5-dimethyl-2H-pyrrole-2-carboxylic acid (CID 126422125) is (2R)-4,5-dimethyl-2H-pyrrole-2-carboxylic acid.
What is the SMILES notation for (2R)-4,5-dimethyl-2H-pyrrole-2-carboxylic acid?
The canonical SMILES for (2R)-4,5-dimethyl-2H-pyrrole-2-carboxylic acid is CC1=C[C@H](C(=O)O)N=C1C.
What is the InChIKey of (2R)-4,5-dimethyl-2H-pyrrole-2-carboxylic acid?
The InChIKey is GNZZTLBQNKJUIO-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H9NO2/c1-4-3-6(7(9)10)8-5(4)2/h3,6H,1-2H3,(H,9,10)/t6-/m1/s1.
What are the key properties of (2R)-4,5-dimethyl-2H-pyrrole-2-carboxylic acid?
(2R)-4,5-dimethyl-2H-pyrrole-2-carboxylic acid has a molecular weight of 139.15 g/mol, XLogP of 0.86, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4,5-dimethyl-2H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 126422125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).