3-(3,4-dihydro-2H-pyrrol-4-yl)-2-methylpropanoic acid

C8H13NO2 — CID 91307768

IUPAC3-(3,4-dihydro-2H-pyrrol-4-yl)-2-methylpropanoic acid
SMILESCC(CC1C=NCC1)C(=O)O
InChIInChI=1S/C8H13NO2/c1-6(8(10)11)4-7-2-3-9-5-7/h5-7H,2-4H2,1H3,(H,10,11)
InChIKeyFAYYWAHIYTYEBD-UHFFFAOYSA-N
MW155.20 g/mol
LogP1.19
Rot. Bonds3

About 3-(3,4-dihydro-2H-pyrrol-4-yl)-2-methylpropanoic acid

3-(3,4-dihydro-2H-pyrrol-4-yl)-2-methylpropanoic acid (PubChem CID 91307768) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 3-(3,4-dihydro-2H-pyrrol-4-yl)-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(3,4-dihydro-2H-pyrrol-4-yl)-2-methylpropanoic acid
PubChem CID91307768
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name3-(3,4-dihydro-2H-pyrrol-4-yl)-2-methylpropanoic acid
SMILESCC(CC1C=NCC1)C(=O)O
InChIInChI=1S/C8H13NO2/c1-6(8(10)11)4-7-2-3-9-5-7/h5-7H,2-4H2,1H3,(H,10,11)
InChIKeyFAYYWAHIYTYEBD-UHFFFAOYSA-N
XLogP1.19
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(3,4-dihydro-2H-pyrrol-4-yl)-2-methylpropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,5-dimethyl-3,4-dihydro-2H-pyrrole-2-carboxylic acid
CID 409206
2-(C-methyl-N-pentylcarbonimidoyl)pentanoic acid
CID 23175551
2-(N-butyl-C-methylcarbonimidoyl)hexanoic acid
CID 23175577
2-(N-hexyl-C-methylcarbonimidoyl)pentanoic acid
CID 23175591
2-(N-hexyl-C-methylcarbonimidoyl)hexanoic acid
CID 23175593
2-(C-methyl-N-pentylcarbonimidoyl)hexanoic acid
CID 23175605
2-methyl-4,5-dihydro-3H-pyridin-2-ylium-4-carboxylic acid
CID 58318541
6-Azaspiro[3.4]oct-6-ene-2-carboxylic acid
CID 69043389
2-Ethyl-6-isocyanatohexanoic acid
CID 87985710
5-Imidazol-2-ylium-2-yl-2,2-dimethylpentanoic acid
CID 90874024
5-(Ethylideneamino)-4-methylpentanoic acid
CID 90929582
5-Ethyl-2,3,4,5-tetrahydropyridine-6-carboxylic acid
CID 91134630

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-2H-pyrrol-4-yl)-2-methylpropanoic acid?
The IUPAC name of 3-(3,4-dihydro-2H-pyrrol-4-yl)-2-methylpropanoic acid (CID 91307768) is 3-(3,4-dihydro-2H-pyrrol-4-yl)-2-methylpropanoic acid.
What is the SMILES notation for 3-(3,4-dihydro-2H-pyrrol-4-yl)-2-methylpropanoic acid?
The canonical SMILES for 3-(3,4-dihydro-2H-pyrrol-4-yl)-2-methylpropanoic acid is CC(CC1C=NCC1)C(=O)O.
What is the InChIKey of 3-(3,4-dihydro-2H-pyrrol-4-yl)-2-methylpropanoic acid?
The InChIKey is FAYYWAHIYTYEBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-6(8(10)11)4-7-2-3-9-5-7/h5-7H,2-4H2,1H3,(H,10,11).
What are the key properties of 3-(3,4-dihydro-2H-pyrrol-4-yl)-2-methylpropanoic acid?
3-(3,4-dihydro-2H-pyrrol-4-yl)-2-methylpropanoic acid has a molecular weight of 155.20 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydro-2H-pyrrol-4-yl)-2-methylpropanoic acid is sourced from PubChem (CID 91307768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).