4-methyl-1-[(2-propylphenyl)carbamoyl]pyrrolidine-3-carboxylic acid

C16H22N2O3 — CID 63721642

IUPAC4-methyl-1-[(2-propylphenyl)carbamoyl]pyrrolidine-3-carboxylic acid
SMILESCCCc1ccccc1NC(=O)N1CC(C)C(C(=O)O)C1
InChIInChI=1S/C16H22N2O3/c1-3-6-12-7-4-5-8-14(12)17-16(21)18-9-11(2)13(10-18)15(19)20/h4-5,7-8,11,13H,3,6,9-10H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyMGUNTGRHQCZQSD-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.82
Rot. Bonds4

About 4-methyl-1-[(2-propylphenyl)carbamoyl]pyrrolidine-3-carboxylic acid

4-methyl-1-[(2-propylphenyl)carbamoyl]pyrrolidine-3-carboxylic acid (PubChem CID 63721642) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 4-methyl-1-[(2-propylphenyl)carbamoyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-[(2-propylphenyl)carbamoyl]pyrrolidine-3-carboxylic acid
PubChem CID63721642
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name4-methyl-1-[(2-propylphenyl)carbamoyl]pyrrolidine-3-carboxylic acid
SMILESCCCc1ccccc1NC(=O)N1CC(C)C(C(=O)O)C1
InChIInChI=1S/C16H22N2O3/c1-3-6-12-7-4-5-8-14(12)17-16(21)18-9-11(2)13(10-18)15(19)20/h4-5,7-8,11,13H,3,6,9-10H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyMGUNTGRHQCZQSD-UHFFFAOYSA-N
XLogP2.82
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S,4S)-4-(trifluoromethyl)-1-[[2-(3,3,3-trifluoropropyl)phenyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122086588
4-methyl-1-[(2-methyl-3-pyridinyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 79043144
4-methyl-1-(2-phenylethylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 63721294
1-[(2-fluorophenyl)methylcarbamoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 63719531
2-[1-[(2-ethylphenyl)carbamoyl]azetidin-3-yl]propanoic acid
CID 116682828
1-[(2,5-dibromophenyl)carbamoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 63720417
1-[2-(2-hydroxyphenyl)acetyl]-4-methylpyrrolidine-3-carboxylic acid
CID 80741465
(3S)-1-[(2-ethylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 28512559
1-[(2-ethylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 43318533
ethane;N-(2-propylphenyl)acetamide
CID 142804217
3-[2-[(2-methylthiomorpholine-4-carbonyl)amino]phenyl]propanoic acid
CID 107274181
2-amino-N-(2-propylphenyl)cyclopropane-1-carboxamide
CID 82239256

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[(2-propylphenyl)carbamoyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 4-methyl-1-[(2-propylphenyl)carbamoyl]pyrrolidine-3-carboxylic acid (CID 63721642) is 4-methyl-1-[(2-propylphenyl)carbamoyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 4-methyl-1-[(2-propylphenyl)carbamoyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 4-methyl-1-[(2-propylphenyl)carbamoyl]pyrrolidine-3-carboxylic acid is CCCc1ccccc1NC(=O)N1CC(C)C(C(=O)O)C1.
What is the InChIKey of 4-methyl-1-[(2-propylphenyl)carbamoyl]pyrrolidine-3-carboxylic acid?
The InChIKey is MGUNTGRHQCZQSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-3-6-12-7-4-5-8-14(12)17-16(21)18-9-11(2)13(10-18)15(19)20/h4-5,7-8,11,13H,3,6,9-10H2,1-2H3,(H,17,21)(H,19,20).
What are the key properties of 4-methyl-1-[(2-propylphenyl)carbamoyl]pyrrolidine-3-carboxylic acid?
4-methyl-1-[(2-propylphenyl)carbamoyl]pyrrolidine-3-carboxylic acid has a molecular weight of 290.36 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[(2-propylphenyl)carbamoyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63721642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).