1-[2-(3-methylthiophen-2-yl)ethylcarbamoyl]pyrrolidine-3-carboxylic acid

C13H18N2O3S — CID 122008877

IUPAC1-[2-(3-methylthiophen-2-yl)ethylcarbamoyl]pyrrolidine-3-carboxylic acid
SMILESCc1ccsc1CCNC(=O)N1CCC(C(=O)O)C1
InChIInChI=1S/C13H18N2O3S/c1-9-4-7-19-11(9)2-5-14-13(18)15-6-3-10(8-15)12(16)17/h4,7,10H,2-3,5-6,8H2,1H3,(H,14,18)(H,16,17)
InChIKeySYGAWVCGZPZLPG-UHFFFAOYSA-N
MW282.36 g/mol
LogP1.72
Rot. Bonds4

About 1-[2-(3-methylthiophen-2-yl)ethylcarbamoyl]pyrrolidine-3-carboxylic acid

1-[2-(3-methylthiophen-2-yl)ethylcarbamoyl]pyrrolidine-3-carboxylic acid (PubChem CID 122008877) has the molecular formula C13H18N2O3S and a molecular weight of 282.36 g/mol. Its IUPAC name is 1-[2-(3-methylthiophen-2-yl)ethylcarbamoyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(3-methylthiophen-2-yl)ethylcarbamoyl]pyrrolidine-3-carboxylic acid
PubChem CID122008877
Molecular FormulaC13H18N2O3S
Molecular Weight282.36 g/mol
Exact Mass282.10
IUPAC Name1-[2-(3-methylthiophen-2-yl)ethylcarbamoyl]pyrrolidine-3-carboxylic acid
SMILESCc1ccsc1CCNC(=O)N1CCC(C(=O)O)C1
InChIInChI=1S/C13H18N2O3S/c1-9-4-7-19-11(9)2-5-14-13(18)15-6-3-10(8-15)12(16)17/h4,7,10H,2-3,5-6,8H2,1H3,(H,14,18)(H,16,17)
InChIKeySYGAWVCGZPZLPG-UHFFFAOYSA-N
XLogP1.72
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[2-(3-methylthiophen-2-yl)ethylcarbamoyl]pyrrolidine-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

(3S)-1-[2-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 81125511
1-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 122001403
1-(3-phenylpropylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 63032265
N-[2-(3-methylthiophen-2-yl)ethyl]azetidine-3-carboxamide
CID 115159059
1-[2-(2-ethoxyphenyl)ethylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 122000455
1-[(3-ethoxy-3-oxopropyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63031772
1-[2-(4-ethoxycarbonyl-1,3-thiazol-2-yl)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 122011316
1-[2-(cyclohepten-1-yl)ethylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 122010199
1-[(3-amino-3-oxopropyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63032084
1-(2-piperidin-1-ylethylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 55149905
1-[2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 122000012
1-[2-(4-chloro-3-methylphenyl)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 122014927

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methylthiophen-2-yl)ethylcarbamoyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[2-(3-methylthiophen-2-yl)ethylcarbamoyl]pyrrolidine-3-carboxylic acid (CID 122008877) is 1-[2-(3-methylthiophen-2-yl)ethylcarbamoyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(3-methylthiophen-2-yl)ethylcarbamoyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[2-(3-methylthiophen-2-yl)ethylcarbamoyl]pyrrolidine-3-carboxylic acid is Cc1ccsc1CCNC(=O)N1CCC(C(=O)O)C1.
What is the InChIKey of 1-[2-(3-methylthiophen-2-yl)ethylcarbamoyl]pyrrolidine-3-carboxylic acid?
The InChIKey is SYGAWVCGZPZLPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c1-9-4-7-19-11(9)2-5-14-13(18)15-6-3-10(8-15)12(16)17/h4,7,10H,2-3,5-6,8H2,1H3,(H,14,18)(H,16,17).
What are the key properties of 1-[2-(3-methylthiophen-2-yl)ethylcarbamoyl]pyrrolidine-3-carboxylic acid?
1-[2-(3-methylthiophen-2-yl)ethylcarbamoyl]pyrrolidine-3-carboxylic acid has a molecular weight of 282.36 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methylthiophen-2-yl)ethylcarbamoyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 122008877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).