2-methyl-1-prop-2-enoylpyrrolidine-3-carboxylic acid

C9H13NO3 — CID 79364112

IUPAC2-methyl-1-prop-2-enoylpyrrolidine-3-carboxylic acid
SMILESC=CC(=O)N1CCC(C(=O)O)C1C
InChIInChI=1S/C9H13NO3/c1-3-8(11)10-5-4-7(6(10)2)9(12)13/h3,6-7H,1,4-5H2,2H3,(H,12,13)
InChIKeyZEASQHIUBAFJKG-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.49
Rot. Bonds2

About 2-methyl-1-prop-2-enoylpyrrolidine-3-carboxylic acid

2-methyl-1-prop-2-enoylpyrrolidine-3-carboxylic acid (PubChem CID 79364112) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is 2-methyl-1-prop-2-enoylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-prop-2-enoylpyrrolidine-3-carboxylic acid
PubChem CID79364112
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC Name2-methyl-1-prop-2-enoylpyrrolidine-3-carboxylic acid
SMILESC=CC(=O)N1CCC(C(=O)O)C1C
InChIInChI=1S/C9H13NO3/c1-3-8(11)10-5-4-7(6(10)2)9(12)13/h3,6-7H,1,4-5H2,2H3,(H,12,13)
InChIKeyZEASQHIUBAFJKG-UHFFFAOYSA-N
XLogP0.49
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-methyl-1-prop-2-enoylpyrrolidine-3-carboxylic 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

2-methyl-1-prop-2-enoylpiperidine-3-carboxylic acid
CID 130979256
(2R,3S)-2-methylpyrrolidine-1,3-dicarboxylic acid
CID 137367540
1-[(2S,3R)-3-(dimethylamino)-2-methylpyrrolidin-1-yl]prop-2-en-1-one
CID 172577549
1-[3-(dimethylamino)-2-methylpyrrolidin-1-yl]prop-2-en-1-one;ethane
CID 172577653
1-but-2-ynoyl-2-methylpyrrolidine-3-carboxylic acid
CID 107986829
1-[2-methyl-3-(4-methylpiperidine-1-carbonyl)azetidin-1-yl]prop-2-en-1-one
CID 178013456
1-prop-2-enoylpiperidine-3,4-dicarboxylic acid
CID 112567977
3-methyl-1-prop-2-enoylpiperidine-2-carboxylic acid
CID 107069723
2-methyl-1-(thiomorpholine-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 79383102
2-methyl-1-(4-methylpiperidine-1-carbonyl)pyrrolidine-3-carboxylic acid
CID 79363721
trimethyl-(1-prop-2-enoylazetidin-2-yl)azanium
CID 58870905
2-methyl-1-(3-methylpyrrolidine-1-carbonyl)pyrrolidine-3-carboxylic acid
CID 79383271

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-prop-2-enoylpyrrolidine-3-carboxylic acid?
The IUPAC name of 2-methyl-1-prop-2-enoylpyrrolidine-3-carboxylic acid (CID 79364112) is 2-methyl-1-prop-2-enoylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 2-methyl-1-prop-2-enoylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 2-methyl-1-prop-2-enoylpyrrolidine-3-carboxylic acid is C=CC(=O)N1CCC(C(=O)O)C1C.
What is the InChIKey of 2-methyl-1-prop-2-enoylpyrrolidine-3-carboxylic acid?
The InChIKey is ZEASQHIUBAFJKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3/c1-3-8(11)10-5-4-7(6(10)2)9(12)13/h3,6-7H,1,4-5H2,2H3,(H,12,13).
What are the key properties of 2-methyl-1-prop-2-enoylpyrrolidine-3-carboxylic acid?
2-methyl-1-prop-2-enoylpyrrolidine-3-carboxylic acid has a molecular weight of 183.21 g/mol, XLogP of 0.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-prop-2-enoylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 79364112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).