5-methyl-2,3-dihydro-1H-pyrrole-2-carboxylic acid

C6H9NO2 — CID 14185060

IUPAC5-methyl-2,3-dihydro-1H-pyrrole-2-carboxylic acid
SMILESCC1=CCC(C(=O)O)N1
InChIInChI=1S/C6H9NO2/c1-4-2-3-5(7-4)6(8)9/h2,5,7H,3H2,1H3,(H,8,9)
InChIKeyZCTIIVSOBQJYNB-UHFFFAOYSA-N
MW127.14 g/mol
LogP0.34
Rot. Bonds1

About 5-methyl-2,3-dihydro-1H-pyrrole-2-carboxylic acid

5-methyl-2,3-dihydro-1H-pyrrole-2-carboxylic acid (PubChem CID 14185060) has the molecular formula C6H9NO2 and a molecular weight of 127.14 g/mol. Its IUPAC name is 5-methyl-2,3-dihydro-1H-pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name5-methyl-2,3-dihydro-1H-pyrrole-2-carboxylic acid
PubChem CID14185060
Molecular FormulaC6H9NO2
Molecular Weight127.14 g/mol
Exact Mass127.06
IUPAC Name5-methyl-2,3-dihydro-1H-pyrrole-2-carboxylic acid
SMILESCC1=CCC(C(=O)O)N1
InChIInChI=1S/C6H9NO2/c1-4-2-3-5(7-4)6(8)9/h2,5,7H,3H2,1H3,(H,8,9)
InChIKeyZCTIIVSOBQJYNB-UHFFFAOYSA-N
XLogP0.34
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.14
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-(2-hydroxy-5-methylphenyl)-2,3-dihydro-1H-pyrrole-2-carboxylic acid
CID 70185796
(2S)-5-hydroxy-1,2,3,6-tetrahydropyridine-2-carboxylic acid
CID 139563474
(2S)-6-oxo-2,3-dihydro-1H-pyridine-2-carboxylic acid
CID 15233514
5-methyl-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazine-3-carboxylic acid
CID 84629996
(2S,7S,12S)-5,10,15,20-tetraoxo-1,6,11,16-tetrazacycloicosane-2,7,12,17-tetracarboxylic acid
CID 177496276
(2S)-5-oxo(2,3,4,5-13C4,115N)azolidine-2-carboxylic acid
CID 76973407
6-bromo-5-methyl-2,3-dihydro-1H-indole-2-carboxylic acid
CID 83901198
ethane;6-oxopiperidine-2-carboxylic acid
CID 143229288
3,7-dioxo-1,4-diazepane-5-carboxylic acid
CID 69050317
(6S)-2-methyl-1,4,5,6-tetrahydropyrimidine-6-carboxylic acid
CID 158543404
(3S,6S)-diazinane-3,6-dicarboxylic acid
CID 131115204
chromium;tris((2S)-5-oxopyrrolidine-2-carboxylic acid)
CID 170846266

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2,3-dihydro-1H-pyrrole-2-carboxylic acid?
The IUPAC name of 5-methyl-2,3-dihydro-1H-pyrrole-2-carboxylic acid (CID 14185060) is 5-methyl-2,3-dihydro-1H-pyrrole-2-carboxylic acid.
What is the SMILES notation for 5-methyl-2,3-dihydro-1H-pyrrole-2-carboxylic acid?
The canonical SMILES for 5-methyl-2,3-dihydro-1H-pyrrole-2-carboxylic acid is CC1=CCC(C(=O)O)N1.
What is the InChIKey of 5-methyl-2,3-dihydro-1H-pyrrole-2-carboxylic acid?
The InChIKey is ZCTIIVSOBQJYNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO2/c1-4-2-3-5(7-4)6(8)9/h2,5,7H,3H2,1H3,(H,8,9).
What are the key properties of 5-methyl-2,3-dihydro-1H-pyrrole-2-carboxylic acid?
5-methyl-2,3-dihydro-1H-pyrrole-2-carboxylic acid has a molecular weight of 127.14 g/mol, XLogP of 0.34, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2,3-dihydro-1H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 14185060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).