(2S)-1-[ethyl-(3-methylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid

C15H20N2O3 — CID 28510403

IUPAC(2S)-1-[ethyl-(3-methylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid
SMILESCCN(C(=O)N1CCC[C@H]1C(=O)O)c1cccc(C)c1
InChIInChI=1S/C15H20N2O3/c1-3-16(12-7-4-6-11(2)10-12)15(20)17-9-5-8-13(17)14(18)19/h4,6-7,10,13H,3,5,8-9H2,1-2H3,(H,18,19)/t13-/m0/s1
InChIKeyJLEXADZZHHMHSX-ZDUSSCGKSA-N
MW276.34 g/mol
LogP2.49
Rot. Bonds3

About (2S)-1-[ethyl-(3-methylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid

(2S)-1-[ethyl-(3-methylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid (PubChem CID 28510403) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is (2S)-1-[ethyl-(3-methylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-[ethyl-(3-methylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid
PubChem CID28510403
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name(2S)-1-[ethyl-(3-methylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid
SMILESCCN(C(=O)N1CCC[C@H]1C(=O)O)c1cccc(C)c1
InChIInChI=1S/C15H20N2O3/c1-3-16(12-7-4-6-11(2)10-12)15(20)17-9-5-8-13(17)14(18)19/h4,6-7,10,13H,3,5,8-9H2,1-2H3,(H,18,19)/t13-/m0/s1
InChIKeyJLEXADZZHHMHSX-ZDUSSCGKSA-N
XLogP2.49
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-[ethyl(phenyl)carbamoyl]piperidine-2-carboxylic acid
CID 59546398
1-[methyl(phenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61186495
methyl (2S)-1-[ethyl(phenyl)carbamoyl]piperidine-2-carboxylate
CID 59546408
3-[ethyl-(3-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63782796
(2R)-1-[3-(3-methylphenyl)propanoyl]pyrrolidine-2-carboxylic acid
CID 78922373
N-ethyl-3-(2-ethylpiperidin-1-yl)-N-(3-methylphenyl)-3-oxopropanamide
CID 108952293
N-ethyl-N-(3-methylphenyl)cyclohexanecarboxamide
CID 533210
(2S)-1-[(2S)-2-(3-methylphenoxy)propanoyl]pyrrolidine-2-carboxylic acid
CID 92920729
N,4-diethyl-N-(3-methylphenyl)piperazine-1-carboxamide
CID 108988562
1-[(3-methoxyphenyl)-methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 62001735
1-[(3-hydroxyphenyl)-methylcarbamoyl]piperidine-2-carboxylic acid
CID 107737239
2-[acetyl(cyclohexyl)amino]-N-ethyl-N-(3-methylphenyl)acetamide
CID 113159596

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[ethyl-(3-methylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-[ethyl-(3-methylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid (CID 28510403) is (2S)-1-[ethyl-(3-methylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-[ethyl-(3-methylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-[ethyl-(3-methylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid is CCN(C(=O)N1CCC[C@H]1C(=O)O)c1cccc(C)c1.
What is the InChIKey of (2S)-1-[ethyl-(3-methylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is JLEXADZZHHMHSX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-3-16(12-7-4-6-11(2)10-12)15(20)17-9-5-8-13(17)14(18)19/h4,6-7,10,13H,3,5,8-9H2,1-2H3,(H,18,19)/t13-/m0/s1.
What are the key properties of (2S)-1-[ethyl-(3-methylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid?
(2S)-1-[ethyl-(3-methylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 276.34 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[ethyl-(3-methylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 28510403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).