1-[2-(4-chlorophenyl)ethylcarbamoyl]-2-methylpyrrolidine-3-carboxylic acid

C15H19ClN2O3 — CID 79376864

IUPAC1-[2-(4-chlorophenyl)ethylcarbamoyl]-2-methylpyrrolidine-3-carboxylic acid
SMILESCC1C(C(=O)O)CCN1C(=O)NCCc1ccc(Cl)cc1
InChIInChI=1S/C15H19ClN2O3/c1-10-13(14(19)20)7-9-18(10)15(21)17-8-6-11-2-4-12(16)5-3-11/h2-5,10,13H,6-9H2,1H3,(H,17,21)(H,19,20)
InChIKeyPXLYWBWJZHAMIO-UHFFFAOYSA-N
MW310.78 g/mol
LogP2.39
Rot. Bonds4

About 1-[2-(4-chlorophenyl)ethylcarbamoyl]-2-methylpyrrolidine-3-carboxylic acid

1-[2-(4-chlorophenyl)ethylcarbamoyl]-2-methylpyrrolidine-3-carboxylic acid (PubChem CID 79376864) has the molecular formula C15H19ClN2O3 and a molecular weight of 310.78 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)ethylcarbamoyl]-2-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)ethylcarbamoyl]-2-methylpyrrolidine-3-carboxylic acid
PubChem CID79376864
Molecular FormulaC15H19ClN2O3
Molecular Weight310.78 g/mol
Exact Mass310.11
IUPAC Name1-[2-(4-chlorophenyl)ethylcarbamoyl]-2-methylpyrrolidine-3-carboxylic acid
SMILESCC1C(C(=O)O)CCN1C(=O)NCCc1ccc(Cl)cc1
InChIInChI=1S/C15H19ClN2O3/c1-10-13(14(19)20)7-9-18(10)15(21)17-8-6-11-2-4-12(16)5-3-11/h2-5,10,13H,6-9H2,1H3,(H,17,21)(H,19,20)
InChIKeyPXLYWBWJZHAMIO-UHFFFAOYSA-N
XLogP2.39
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.78
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(4-chlorophenyl)acetyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79364498
1-[(2-chlorophenyl)methylcarbamoyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79382598
cis-(1S,2R)-2-[2-(4-chlorophenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 1265526
1-[(4-cyanophenyl)methylcarbamoyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79377623
N-[2-(4-chlorophenyl)ethyl]-2-azabicyclo[2.2.1]heptane-2-carboxamide
CID 156608080
2-methyl-1-[[3-(methylamino)-3-oxopropyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 79383362
1-[2-(dimethylcarbamoylamino)ethylcarbamoyl]-2-methylpyrrolidine-3-carboxylic acid
CID 83112725
1-[3-(cyclopropylamino)propylcarbamoyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79382716
(2R,3R)-1-[2-[(4-chlorophenyl)methylsulfanyl]acetyl]-2-methylpiperidine-3-carboxylic acid
CID 122114889
2-[2-(4-chlorophenyl)ethylamino]cyclobutane-1-carboxylic acid
CID 103247072
N-[2-(4-chlorophenyl)ethyl]-3-(4-methylpiperidin-1-yl)-3-oxopropanamide
CID 108942729
2-[1-[2-(4-chlorophenyl)ethylcarbamoyl]azetidin-3-yl]propanoic acid
CID 116682965

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)ethylcarbamoyl]-2-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[2-(4-chlorophenyl)ethylcarbamoyl]-2-methylpyrrolidine-3-carboxylic acid (CID 79376864) is 1-[2-(4-chlorophenyl)ethylcarbamoyl]-2-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(4-chlorophenyl)ethylcarbamoyl]-2-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[2-(4-chlorophenyl)ethylcarbamoyl]-2-methylpyrrolidine-3-carboxylic acid is CC1C(C(=O)O)CCN1C(=O)NCCc1ccc(Cl)cc1.
What is the InChIKey of 1-[2-(4-chlorophenyl)ethylcarbamoyl]-2-methylpyrrolidine-3-carboxylic acid?
The InChIKey is PXLYWBWJZHAMIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O3/c1-10-13(14(19)20)7-9-18(10)15(21)17-8-6-11-2-4-12(16)5-3-11/h2-5,10,13H,6-9H2,1H3,(H,17,21)(H,19,20).
What are the key properties of 1-[2-(4-chlorophenyl)ethylcarbamoyl]-2-methylpyrrolidine-3-carboxylic acid?
1-[2-(4-chlorophenyl)ethylcarbamoyl]-2-methylpyrrolidine-3-carboxylic acid has a molecular weight of 310.78 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)ethylcarbamoyl]-2-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 79376864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).