1-[cyclopropyl(thiophen-3-ylmethyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid

C15H20N2O3S — CID 102781994

IUPAC1-[cyclopropyl(thiophen-3-ylmethyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid
SMILESCC1CCN(C(=O)N(Cc2ccsc2)C2CC2)C1C(=O)O
InChIInChI=1S/C15H20N2O3S/c1-10-4-6-16(13(10)14(18)19)15(20)17(12-2-3-12)8-11-5-7-21-9-11/h5,7,9-10,12-13H,2-4,6,8H2,1H3,(H,18,19)
InChIKeyPRNHHIDCLJZTIW-UHFFFAOYSA-N
MW308.40 g/mol
LogP2.63
Rot. Bonds4

About 1-[cyclopropyl(thiophen-3-ylmethyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid

1-[cyclopropyl(thiophen-3-ylmethyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid (PubChem CID 102781994) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is 1-[cyclopropyl(thiophen-3-ylmethyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[cyclopropyl(thiophen-3-ylmethyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid
PubChem CID102781994
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC Name1-[cyclopropyl(thiophen-3-ylmethyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid
SMILESCC1CCN(C(=O)N(Cc2ccsc2)C2CC2)C1C(=O)O
InChIInChI=1S/C15H20N2O3S/c1-10-4-6-16(13(10)14(18)19)15(20)17(12-2-3-12)8-11-5-7-21-9-11/h5,7,9-10,12-13H,2-4,6,8H2,1H3,(H,18,19)
InChIKeyPRNHHIDCLJZTIW-UHFFFAOYSA-N
XLogP2.63
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[cyclopropyl(2-methylpropyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102782243
N-cyclopropyl-2-oxo-N-(thiophen-3-ylmethyl)imidazolidine-1-carboxamide
CID 72717905
3-methyl-1-(2-thiophen-3-ylethylcarbamoyl)piperidine-2-carboxylic acid
CID 107071458
N-cyclopropyl-N-(thiophen-3-ylmethyl)carbamoyl chloride
CID 79887165
2-amino-N-cyclopropyl-N-(thiophen-3-ylmethyl)propanamide
CID 61166609
(2S)-2-[[cyclopropyl(thiophen-3-ylmethyl)carbamoyl]amino]propanoic acid
CID 78971232
1-[cyclobutyl(2-hydroxyethyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102865465
3-methyl-1-[methyl(2-phenylethyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 102782826
(2S)-2-amino-N-cyclopropyl-3-methyl-N-(thiophen-3-ylmethyl)butanamide
CID 61168167
2-chloro-N-[cyclopropyl(thiophen-3-ylmethyl)carbamoyl]propanamide
CID 61439057
N-cyclopropyl-2,2,2-trifluoro-N-(thiophen-3-ylmethyl)acetamide
CID 62728427
4-[cyclopropyl(thiophen-3-ylmethyl)amino]benzoic acid
CID 61434422

Frequently Asked Questions

What is the IUPAC name of 1-[cyclopropyl(thiophen-3-ylmethyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[cyclopropyl(thiophen-3-ylmethyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid (CID 102781994) is 1-[cyclopropyl(thiophen-3-ylmethyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[cyclopropyl(thiophen-3-ylmethyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[cyclopropyl(thiophen-3-ylmethyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid is CC1CCN(C(=O)N(Cc2ccsc2)C2CC2)C1C(=O)O.
What is the InChIKey of 1-[cyclopropyl(thiophen-3-ylmethyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid?
The InChIKey is PRNHHIDCLJZTIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S/c1-10-4-6-16(13(10)14(18)19)15(20)17(12-2-3-12)8-11-5-7-21-9-11/h5,7,9-10,12-13H,2-4,6,8H2,1H3,(H,18,19).
What are the key properties of 1-[cyclopropyl(thiophen-3-ylmethyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid?
1-[cyclopropyl(thiophen-3-ylmethyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid has a molecular weight of 308.40 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclopropyl(thiophen-3-ylmethyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 102781994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).