3-methyl-1-(prop-2-enylcarbamoyl)pyrrolidine-3-carboxylic acid

C10H16N2O3 — CID 63145628

IUPAC3-methyl-1-(prop-2-enylcarbamoyl)pyrrolidine-3-carboxylic acid
SMILESC=CCNC(=O)N1CCC(C)(C(=O)O)C1
InChIInChI=1S/C10H16N2O3/c1-3-5-11-9(15)12-6-4-10(2,7-12)8(13)14/h3H,1,4-7H2,2H3,(H,11,15)(H,13,14)
InChIKeyPXYWWRIDPIIDJI-UHFFFAOYSA-N
MW212.25 g/mol
LogP0.68
Rot. Bonds3

About 3-methyl-1-(prop-2-enylcarbamoyl)pyrrolidine-3-carboxylic acid

3-methyl-1-(prop-2-enylcarbamoyl)pyrrolidine-3-carboxylic acid (PubChem CID 63145628) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is 3-methyl-1-(prop-2-enylcarbamoyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-(prop-2-enylcarbamoyl)pyrrolidine-3-carboxylic acid
PubChem CID63145628
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name3-methyl-1-(prop-2-enylcarbamoyl)pyrrolidine-3-carboxylic acid
SMILESC=CCNC(=O)N1CCC(C)(C(=O)O)C1
InChIInChI=1S/C10H16N2O3/c1-3-5-11-9(15)12-6-4-10(2,7-12)8(13)14/h3H,1,4-7H2,2H3,(H,11,15)(H,13,14)
InChIKeyPXYWWRIDPIIDJI-UHFFFAOYSA-N
XLogP0.68
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-1-[(1-methylcyclopentyl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 63829455
1-[2-(methanesulfonamido)ethylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63149485
3-methyl-1-(2-pyrrolidin-1-ylethylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 55166161
1-(3-methoxypropylcarbamoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 63149085
1-(2-carbamoyloxyethylcarbamoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 83203614
3-methyl-1-[2-(1-methylpiperidin-4-yl)ethylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 114516429
3-methylpyrrolidine-1,3-dicarboxylic acid
CID 23111893
1-[(4-carboxyphenyl)methylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122019901
3-methyl-1-[2-(trifluoromethoxy)ethylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 122011451
1-[(4-ethylphenyl)methylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 106900484
1-(2-aminoethylcarbamoyl)-4-methylpiperidine-4-carboxylic acid
CID 63124361
3-methyl-1-[(1-methylcyclobutyl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 114108736

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(prop-2-enylcarbamoyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-methyl-1-(prop-2-enylcarbamoyl)pyrrolidine-3-carboxylic acid (CID 63145628) is 3-methyl-1-(prop-2-enylcarbamoyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-methyl-1-(prop-2-enylcarbamoyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-methyl-1-(prop-2-enylcarbamoyl)pyrrolidine-3-carboxylic acid is C=CCNC(=O)N1CCC(C)(C(=O)O)C1.
What is the InChIKey of 3-methyl-1-(prop-2-enylcarbamoyl)pyrrolidine-3-carboxylic acid?
The InChIKey is PXYWWRIDPIIDJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-3-5-11-9(15)12-6-4-10(2,7-12)8(13)14/h3H,1,4-7H2,2H3,(H,11,15)(H,13,14).
What are the key properties of 3-methyl-1-(prop-2-enylcarbamoyl)pyrrolidine-3-carboxylic acid?
3-methyl-1-(prop-2-enylcarbamoyl)pyrrolidine-3-carboxylic acid has a molecular weight of 212.25 g/mol, XLogP of 0.68, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(prop-2-enylcarbamoyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63145628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).