1-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-3-methylpyrrolidine-3-carboxylic acid

C15H19ClN2O3 — CID 63147604

IUPAC1-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-3-methylpyrrolidine-3-carboxylic acid
SMILESCc1ccc(Cl)cc1NC(=O)CN1CCC(C)(C(=O)O)C1
InChIInChI=1S/C15H19ClN2O3/c1-10-3-4-11(16)7-12(10)17-13(19)8-18-6-5-15(2,9-18)14(20)21/h3-4,7H,5-6,8-9H2,1-2H3,(H,17,19)(H,20,21)
InChIKeyQPPRZWGHGJXLCF-UHFFFAOYSA-N
MW310.78 g/mol
LogP2.38
Rot. Bonds4

About 1-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-3-methylpyrrolidine-3-carboxylic acid

1-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-3-methylpyrrolidine-3-carboxylic acid (PubChem CID 63147604) has the molecular formula C15H19ClN2O3 and a molecular weight of 310.78 g/mol. Its IUPAC name is 1-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-3-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-3-methylpyrrolidine-3-carboxylic acid
PubChem CID63147604
Molecular FormulaC15H19ClN2O3
Molecular Weight310.78 g/mol
Exact Mass310.11
IUPAC Name1-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-3-methylpyrrolidine-3-carboxylic acid
SMILESCc1ccc(Cl)cc1NC(=O)CN1CCC(C)(C(=O)O)C1
InChIInChI=1S/C15H19ClN2O3/c1-10-3-4-11(16)7-12(10)17-13(19)8-18-6-5-15(2,9-18)14(20)21/h3-4,7H,5-6,8-9H2,1-2H3,(H,17,19)(H,20,21)
InChIKeyQPPRZWGHGJXLCF-UHFFFAOYSA-N
XLogP2.38
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.78
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chloro-2-methylphenyl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetamide
CID 103728446
1-[2-(2-chloroanilino)-2-oxoethyl]-3-methylpiperidine-3-carboxylic acid
CID 63136943
2-[4-[2-(5-chloro-2-methylanilino)-2-oxoethyl]piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide
CID 9435125
N-(5-chloro-2-methylphenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide
CID 18086171
3-amino-1-[2-(5-fluoro-2-methylanilino)-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 107324973
N-(2,5-dichlorophenyl)-2-(3,3-difluoropyrrolidin-1-yl)acetamide
CID 171701418
1-[(4-chloro-2,6-dimethylphenyl)methyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122046376
1-[2-(2-fluoroanilino)-2-oxoethyl]-3-methylpiperidine-3-carboxylic acid
CID 63136985
N,N'-bis(5-chloro-2-methylphenyl)propanediamide
CID 1340673
N-(5-chloro-2-methylphenyl)-2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetamide
CID 86998643
N-(5-chloro-2-methylphenyl)-2-(3,5-dimethylpiperazin-1-yl)acetamide;hydrochloride
CID 119923981
3-methyl-1-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 63148115

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-3-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-3-methylpyrrolidine-3-carboxylic acid (CID 63147604) is 1-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-3-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-3-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-3-methylpyrrolidine-3-carboxylic acid is Cc1ccc(Cl)cc1NC(=O)CN1CCC(C)(C(=O)O)C1.
What is the InChIKey of 1-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-3-methylpyrrolidine-3-carboxylic acid?
The InChIKey is QPPRZWGHGJXLCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O3/c1-10-3-4-11(16)7-12(10)17-13(19)8-18-6-5-15(2,9-18)14(20)21/h3-4,7H,5-6,8-9H2,1-2H3,(H,17,19)(H,20,21).
What are the key properties of 1-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-3-methylpyrrolidine-3-carboxylic acid?
1-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-3-methylpyrrolidine-3-carboxylic acid has a molecular weight of 310.78 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-3-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63147604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).