1-[(2-ethyl-6-methylphenyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid

C16H22N2O3 — CID 63145953

IUPAC1-[(2-ethyl-6-methylphenyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
SMILESCCc1cccc(C)c1NC(=O)N1CCC(C)(C(=O)O)C1
InChIInChI=1S/C16H22N2O3/c1-4-12-7-5-6-11(2)13(12)17-15(21)18-9-8-16(3,10-18)14(19)20/h5-7H,4,8-10H2,1-3H3,(H,17,21)(H,19,20)
InChIKeyQLDCRVLSKTYZMH-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.89
Rot. Bonds3

About 1-[(2-ethyl-6-methylphenyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid

1-[(2-ethyl-6-methylphenyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid (PubChem CID 63145953) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 1-[(2-ethyl-6-methylphenyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(2-ethyl-6-methylphenyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
PubChem CID63145953
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name1-[(2-ethyl-6-methylphenyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
SMILESCCc1cccc(C)c1NC(=O)N1CCC(C)(C(=O)O)C1
InChIInChI=1S/C16H22N2O3/c1-4-12-7-5-6-11(2)13(12)17-15(21)18-9-8-16(3,10-18)14(19)20/h5-7H,4,8-10H2,1-3H3,(H,17,21)(H,19,20)
InChIKeyQLDCRVLSKTYZMH-UHFFFAOYSA-N
XLogP2.89
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[2-(difluoromethoxy)-6-methylphenyl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122079282
N-(2-ethyl-6-methylphenyl)piperazine-1-carboxamide
CID 82086576
N-(2-ethyl-6-methylphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide
CID 86986479
3-methyl-1-[[2-(2,2,2-trifluoroethyl)phenyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122085669
1-[(2,6-difluorophenyl)carbamoyl]-3-methylpiperidine-3-carboxylic acid
CID 63135920
3-methyl-1-[(2,4,6-trichlorophenyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63145650
N-(2-ethyl-6-methylphenyl)-3-hydroxypiperidine-1-carboxamide
CID 47192750
4-butyl-N-(2-ethyl-6-methylphenyl)piperazine-1-carboxamide
CID 113103802
1-[(4-ethylphenyl)methylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 106900484
1-[[5-(ethylcarbamoylamino)-2-methylphenyl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122091939
3-methyl-1-[(2-methylsulfanylphenyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 107642319
1-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63149532

Frequently Asked Questions

What is the IUPAC name of 1-[(2-ethyl-6-methylphenyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[(2-ethyl-6-methylphenyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid (CID 63145953) is 1-[(2-ethyl-6-methylphenyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[(2-ethyl-6-methylphenyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[(2-ethyl-6-methylphenyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid is CCc1cccc(C)c1NC(=O)N1CCC(C)(C(=O)O)C1.
What is the InChIKey of 1-[(2-ethyl-6-methylphenyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid?
The InChIKey is QLDCRVLSKTYZMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-4-12-7-5-6-11(2)13(12)17-15(21)18-9-8-16(3,10-18)14(19)20/h5-7H,4,8-10H2,1-3H3,(H,17,21)(H,19,20).
What are the key properties of 1-[(2-ethyl-6-methylphenyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid?
1-[(2-ethyl-6-methylphenyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid has a molecular weight of 290.36 g/mol, XLogP of 2.89, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-ethyl-6-methylphenyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63145953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).