4-[(4-acetamidobenzoyl)amino]-4-methylpentanoic acid

C15H20N2O4 — CID 62042412

IUPAC4-[(4-acetamidobenzoyl)amino]-4-methylpentanoic acid
SMILESCC(=O)Nc1ccc(C(=O)NC(C)(C)CCC(=O)O)cc1
InChIInChI=1S/C15H20N2O4/c1-10(18)16-12-6-4-11(5-7-12)14(21)17-15(2,3)9-8-13(19)20/h4-7H,8-9H2,1-3H3,(H,16,18)(H,17,21)(H,19,20)
InChIKeyVMRLELLYYRRWEF-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.02
Rot. Bonds6

About 4-[(4-acetamidobenzoyl)amino]-4-methylpentanoic acid

4-[(4-acetamidobenzoyl)amino]-4-methylpentanoic acid (PubChem CID 62042412) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is 4-[(4-acetamidobenzoyl)amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name4-[(4-acetamidobenzoyl)amino]-4-methylpentanoic acid
PubChem CID62042412
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Name4-[(4-acetamidobenzoyl)amino]-4-methylpentanoic acid
SMILESCC(=O)Nc1ccc(C(=O)NC(C)(C)CCC(=O)O)cc1
InChIInChI=1S/C15H20N2O4/c1-10(18)16-12-6-4-11(5-7-12)14(21)17-15(2,3)9-8-13(19)20/h4-7H,8-9H2,1-3H3,(H,16,18)(H,17,21)(H,19,20)
InChIKeyVMRLELLYYRRWEF-UHFFFAOYSA-N
XLogP2.02
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[4-(hydroxymethyl)benzoyl]amino]-4-methylpentanoic acid
CID 62041548
4-[[4-(dimethylamino)benzoyl]amino]-4-methylpentanoic acid
CID 62044369
4-methyl-4-(pyridine-4-carbonylamino)pentanoic acid
CID 62043256
4-methyl-4-[[4-(methylsulfonylmethyl)benzoyl]amino]pentanoic acid
CID 119203601
4-[[4-(cyclopentylcarbamoyl)phenyl]carbamoylamino]-4-methylpentanoic acid
CID 122076790
4-methyl-4-[(4-propan-2-ylsulfonylbenzoyl)amino]pentanoic acid
CID 119203959
4-methyl-4-(naphthalene-2-carbonylamino)pentanoic acid
CID 62041314
4-[[4-(ethylsulfamoyl)benzoyl]amino]-4-methylpentanoic acid
CID 119204037
4-[(4-imidazol-1-ylbenzoyl)amino]-4-methylpentanoic acid
CID 119357488
4-[(3,5-dimethylbenzoyl)amino]-4-methylpentanoic acid
CID 62041965
4-(carbamoylamino)-N-(4-hydroxy-2-methylbutan-2-yl)benzamide
CID 115969000
4-methyl-4-[[2-(4-methylanilino)-2-oxoacetyl]amino]pentanoic acid
CID 62041566

Frequently Asked Questions

What is the IUPAC name of 4-[(4-acetamidobenzoyl)amino]-4-methylpentanoic acid?
The IUPAC name of 4-[(4-acetamidobenzoyl)amino]-4-methylpentanoic acid (CID 62042412) is 4-[(4-acetamidobenzoyl)amino]-4-methylpentanoic acid.
What is the SMILES notation for 4-[(4-acetamidobenzoyl)amino]-4-methylpentanoic acid?
The canonical SMILES for 4-[(4-acetamidobenzoyl)amino]-4-methylpentanoic acid is CC(=O)Nc1ccc(C(=O)NC(C)(C)CCC(=O)O)cc1.
What is the InChIKey of 4-[(4-acetamidobenzoyl)amino]-4-methylpentanoic acid?
The InChIKey is VMRLELLYYRRWEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-10(18)16-12-6-4-11(5-7-12)14(21)17-15(2,3)9-8-13(19)20/h4-7H,8-9H2,1-3H3,(H,16,18)(H,17,21)(H,19,20).
What are the key properties of 4-[(4-acetamidobenzoyl)amino]-4-methylpentanoic acid?
4-[(4-acetamidobenzoyl)amino]-4-methylpentanoic acid has a molecular weight of 292.34 g/mol, XLogP of 2.02, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-acetamidobenzoyl)amino]-4-methylpentanoic acid is sourced from PubChem (CID 62042412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).