2-[[3-acetyl-5-[(4-methyl-3-oxopentyl)amino]benzoyl]amino]acetic acid

C17H22N2O5 — CID 178048157

IUPAC2-[[3-acetyl-5-[(4-methyl-3-oxopentyl)amino]benzoyl]amino]acetic acid
SMILESCC(=O)c1cc(NCCC(=O)C(C)C)cc(C(=O)NCC(=O)O)c1
InChIInChI=1S/C17H22N2O5/c1-10(2)15(21)4-5-18-14-7-12(11(3)20)6-13(8-14)17(24)19-9-16(22)23/h6-8,10,18H,4-5,9H2,1-3H3,(H,19,24)(H,22,23)
InChIKeyLRCDUIJRLXPJCY-UHFFFAOYSA-N
MW334.37 g/mol
LogP1.73
Rot. Bonds9

About 2-[[3-acetyl-5-[(4-methyl-3-oxopentyl)amino]benzoyl]amino]acetic acid

2-[[3-acetyl-5-[(4-methyl-3-oxopentyl)amino]benzoyl]amino]acetic acid (PubChem CID 178048157) has the molecular formula C17H22N2O5 and a molecular weight of 334.37 g/mol. Its IUPAC name is 2-[[3-acetyl-5-[(4-methyl-3-oxopentyl)amino]benzoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[3-acetyl-5-[(4-methyl-3-oxopentyl)amino]benzoyl]amino]acetic acid
PubChem CID178048157
Molecular FormulaC17H22N2O5
Molecular Weight334.37 g/mol
Exact Mass334.15
IUPAC Name2-[[3-acetyl-5-[(4-methyl-3-oxopentyl)amino]benzoyl]amino]acetic acid
SMILESCC(=O)c1cc(NCCC(=O)C(C)C)cc(C(=O)NCC(=O)O)c1
InChIInChI=1S/C17H22N2O5/c1-10(2)15(21)4-5-18-14-7-12(11(3)20)6-13(8-14)17(24)19-9-16(22)23/h6-8,10,18H,4-5,9H2,1-3H3,(H,19,24)(H,22,23)
InChIKeyLRCDUIJRLXPJCY-UHFFFAOYSA-N
XLogP1.73
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[[3-acetyl-5-[(4-methyl-3-oxopentyl)amino]benzoyl]amino]acetic acid with MolForge

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Related Compounds

ethane;2-[[3-[(7-methyl-6-oxooctyl)amino]-5-(2-methylpropanoyl)benzoyl]amino]acetic acid
CID 178048670
2-[[3-[2-(4-methyl-3-oxopentoxy)ethylamino]-5-(2-methylpropanoyl)benzoyl]amino]ethanesulfinic acid
CID 178048722
4-(3-acetyl-5-fluoroanilino)butanoic acid
CID 82535608
1-[3-acetyl-5-(ethylamino)phenyl]-2-methylpropan-1-one;ethane
CID 142455262
N-(6-methyl-2,5-dioxoheptyl)benzamide
CID 171414098
3-fluoro-4-methyl-N-(3-methyl-2-oxobutyl)benzamide
CID 64996528
5-acetyl-1-N,3-N-bis(2,3-dihydroxypropyl)benzene-1,3-dicarboxamide
CID 153358046
2-[[2-[(3,5-difluorobenzoyl)amino]acetyl]amino]acetic acid
CID 43387598
2-[(3,5-dimethyl-4-nitrobenzoyl)amino]acetic acid
CID 23740155
2-[(3-propan-2-ylbenzoyl)amino]acetic acid
CID 90058974
2-[(4-amino-3,5-dihydroxybenzoyl)amino]acetic acid
CID 140974704
1-[3-chloro-5-(2-methoxyethylamino)phenyl]ethanone
CID 82535651

Frequently Asked Questions

What is the IUPAC name of 2-[[3-acetyl-5-[(4-methyl-3-oxopentyl)amino]benzoyl]amino]acetic acid?
The IUPAC name of 2-[[3-acetyl-5-[(4-methyl-3-oxopentyl)amino]benzoyl]amino]acetic acid (CID 178048157) is 2-[[3-acetyl-5-[(4-methyl-3-oxopentyl)amino]benzoyl]amino]acetic acid.
What is the SMILES notation for 2-[[3-acetyl-5-[(4-methyl-3-oxopentyl)amino]benzoyl]amino]acetic acid?
The canonical SMILES for 2-[[3-acetyl-5-[(4-methyl-3-oxopentyl)amino]benzoyl]amino]acetic acid is CC(=O)c1cc(NCCC(=O)C(C)C)cc(C(=O)NCC(=O)O)c1.
What is the InChIKey of 2-[[3-acetyl-5-[(4-methyl-3-oxopentyl)amino]benzoyl]amino]acetic acid?
The InChIKey is LRCDUIJRLXPJCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O5/c1-10(2)15(21)4-5-18-14-7-12(11(3)20)6-13(8-14)17(24)19-9-16(22)23/h6-8,10,18H,4-5,9H2,1-3H3,(H,19,24)(H,22,23).
What are the key properties of 2-[[3-acetyl-5-[(4-methyl-3-oxopentyl)amino]benzoyl]amino]acetic acid?
2-[[3-acetyl-5-[(4-methyl-3-oxopentyl)amino]benzoyl]amino]acetic acid has a molecular weight of 334.37 g/mol, XLogP of 1.73, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-acetyl-5-[(4-methyl-3-oxopentyl)amino]benzoyl]amino]acetic acid is sourced from PubChem (CID 178048157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).