4-methyl-2-[[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]methyl]pentanoic acid

C18H24N2O4 — CID 119252803

IUPAC4-methyl-2-[[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]methyl]pentanoic acid
SMILESCC(C)CC(CNC(=O)c1ccc(N2CCCC2=O)cc1)C(=O)O
InChIInChI=1S/C18H24N2O4/c1-12(2)10-14(18(23)24)11-19-17(22)13-5-7-15(8-6-13)20-9-3-4-16(20)21/h5-8,12,14H,3-4,9-11H2,1-2H3,(H,19,22)(H,23,24)
InChIKeySPCWQILDUXEBRB-UHFFFAOYSA-N
MW332.40 g/mol
LogP2.29
Rot. Bonds7

About 4-methyl-2-[[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]methyl]pentanoic acid

4-methyl-2-[[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]methyl]pentanoic acid (PubChem CID 119252803) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is 4-methyl-2-[[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]methyl]pentanoic acid.

Molecular Properties

Compound Name4-methyl-2-[[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]methyl]pentanoic acid
PubChem CID119252803
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Name4-methyl-2-[[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]methyl]pentanoic acid
SMILESCC(C)CC(CNC(=O)c1ccc(N2CCCC2=O)cc1)C(=O)O
InChIInChI=1S/C18H24N2O4/c1-12(2)10-14(18(23)24)11-19-17(22)13-5-7-15(8-6-13)20-9-3-4-16(20)21/h5-8,12,14H,3-4,9-11H2,1-2H3,(H,19,22)(H,23,24)
InChIKeySPCWQILDUXEBRB-UHFFFAOYSA-N
XLogP2.29
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-methyl-2-[[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]methyl]pentanoic acid with MolForge

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Related Compounds

N-(2-methylpropyl)-4-(2-oxopiperidin-1-yl)benzamide
CID 18106043
2-[(3-methylphenyl)methyl]-3-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]propanoic acid
CID 119242843
N-[2-(dimethylamino)-2-phenylethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 4881454
4-(2-oxopyrrolidin-1-yl)-N-propan-2-ylbenzamide
CID 6621975
4-methyl-2-[[[4-(propan-2-ylcarbamoyl)benzoyl]amino]methyl]pentanoic acid
CID 120528496
N-(2-benzamidoethyl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 24659936
4-(2-oxopyrrolidin-1-yl)-N-(2-propan-2-yloxyethyl)benzamide
CID 110416590
4-(2-oxopyrrolidin-1-yl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 8589075
4-methyl-2-[[[4-(trifluoromethyl)benzoyl]amino]methyl]pentanoic acid
CID 119252785
N-(4-hydroxy-2,2-dimethylpentyl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 111480504
N-[2-oxo-2-(pentan-2-ylamino)ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 46700707
1-[4-(3-methylbutanoyl)phenyl]pyrrolidin-2-one
CID 43161134

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]methyl]pentanoic acid?
The IUPAC name of 4-methyl-2-[[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]methyl]pentanoic acid (CID 119252803) is 4-methyl-2-[[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]methyl]pentanoic acid.
What is the SMILES notation for 4-methyl-2-[[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]methyl]pentanoic acid?
The canonical SMILES for 4-methyl-2-[[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]methyl]pentanoic acid is CC(C)CC(CNC(=O)c1ccc(N2CCCC2=O)cc1)C(=O)O.
What is the InChIKey of 4-methyl-2-[[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]methyl]pentanoic acid?
The InChIKey is SPCWQILDUXEBRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-12(2)10-14(18(23)24)11-19-17(22)13-5-7-15(8-6-13)20-9-3-4-16(20)21/h5-8,12,14H,3-4,9-11H2,1-2H3,(H,19,22)(H,23,24).
What are the key properties of 4-methyl-2-[[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]methyl]pentanoic acid?
4-methyl-2-[[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]methyl]pentanoic acid has a molecular weight of 332.40 g/mol, XLogP of 2.29, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]methyl]pentanoic acid is sourced from PubChem (CID 119252803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).