1-[2-benzamido-3-(4-methylphenyl)propanoyl]pyrrolidine-2-carboxylic acid

C22H24N2O4 — CID 2939573

IUPAC1-[2-benzamido-3-(4-methylphenyl)propanoyl]pyrrolidine-2-carboxylic acid
SMILESCc1ccc(CC(NC(=O)c2ccccc2)C(=O)N2CCCC2C(=O)O)cc1
InChIInChI=1S/C22H24N2O4/c1-15-9-11-16(12-10-15)14-18(23-20(25)17-6-3-2-4-7-17)21(26)24-13-5-8-19(24)22(27)28/h2-4,6-7,9-12,18-19H,5,8,13-14H2,1H3,(H,23,25)(H,27,28)
InChIKeyNXKCUCVHIBHEJZ-UHFFFAOYSA-N
MW380.44 g/mol
LogP2.41
Rot. Bonds6

About 1-[2-benzamido-3-(4-methylphenyl)propanoyl]pyrrolidine-2-carboxylic acid

1-[2-benzamido-3-(4-methylphenyl)propanoyl]pyrrolidine-2-carboxylic acid (PubChem CID 2939573) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is 1-[2-benzamido-3-(4-methylphenyl)propanoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-benzamido-3-(4-methylphenyl)propanoyl]pyrrolidine-2-carboxylic acid
PubChem CID2939573
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC Name1-[2-benzamido-3-(4-methylphenyl)propanoyl]pyrrolidine-2-carboxylic acid
SMILESCc1ccc(CC(NC(=O)c2ccccc2)C(=O)N2CCCC2C(=O)O)cc1
InChIInChI=1S/C22H24N2O4/c1-15-9-11-16(12-10-15)14-18(23-20(25)17-6-3-2-4-7-17)21(26)24-13-5-8-19(24)22(27)28/h2-4,6-7,9-12,18-19H,5,8,13-14H2,1H3,(H,23,25)(H,27,28)
InChIKeyNXKCUCVHIBHEJZ-UHFFFAOYSA-N
XLogP2.41
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-benzamido-3-(4-methylphenyl)propanoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[2-benzamido-3-(4-methylphenyl)propanoyl]pyrrolidine-2-carboxylic acid (CID 2939573) is 1-[2-benzamido-3-(4-methylphenyl)propanoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-benzamido-3-(4-methylphenyl)propanoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[2-benzamido-3-(4-methylphenyl)propanoyl]pyrrolidine-2-carboxylic acid is Cc1ccc(CC(NC(=O)c2ccccc2)C(=O)N2CCCC2C(=O)O)cc1.
What is the InChIKey of 1-[2-benzamido-3-(4-methylphenyl)propanoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is NXKCUCVHIBHEJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-15-9-11-16(12-10-15)14-18(23-20(25)17-6-3-2-4-7-17)21(26)24-13-5-8-19(24)22(27)28/h2-4,6-7,9-12,18-19H,5,8,13-14H2,1H3,(H,23,25)(H,27,28).
What are the key properties of 1-[2-benzamido-3-(4-methylphenyl)propanoyl]pyrrolidine-2-carboxylic acid?
1-[2-benzamido-3-(4-methylphenyl)propanoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 380.44 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-benzamido-3-(4-methylphenyl)propanoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 2939573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).