4-[[4-(dimethylamino)benzoyl]amino]-4-methylpentanoic acid

C15H22N2O3 — CID 62044369

IUPAC4-[[4-(dimethylamino)benzoyl]amino]-4-methylpentanoic acid
SMILESCN(C)c1ccc(C(=O)NC(C)(C)CCC(=O)O)cc1
InChIInChI=1S/C15H22N2O3/c1-15(2,10-9-13(18)19)16-14(20)11-5-7-12(8-6-11)17(3)4/h5-8H,9-10H2,1-4H3,(H,16,20)(H,18,19)
InChIKeyVZTGXAICKHLFRJ-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.13
Rot. Bonds6

About 4-[[4-(dimethylamino)benzoyl]amino]-4-methylpentanoic acid

4-[[4-(dimethylamino)benzoyl]amino]-4-methylpentanoic acid (PubChem CID 62044369) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 4-[[4-(dimethylamino)benzoyl]amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name4-[[4-(dimethylamino)benzoyl]amino]-4-methylpentanoic acid
PubChem CID62044369
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name4-[[4-(dimethylamino)benzoyl]amino]-4-methylpentanoic acid
SMILESCN(C)c1ccc(C(=O)NC(C)(C)CCC(=O)O)cc1
InChIInChI=1S/C15H22N2O3/c1-15(2,10-9-13(18)19)16-14(20)11-5-7-12(8-6-11)17(3)4/h5-8H,9-10H2,1-4H3,(H,16,20)(H,18,19)
InChIKeyVZTGXAICKHLFRJ-UHFFFAOYSA-N
XLogP2.13
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[[4-(dimethylamino)benzoyl]amino]-4-methylpentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[4-(hydroxymethyl)benzoyl]amino]-4-methylpentanoic acid
CID 62041548
4-[(4-acetamidobenzoyl)amino]-4-methylpentanoic acid
CID 62042412
4-methyl-4-(pyridine-4-carbonylamino)pentanoic acid
CID 62043256
4-methyl-4-[[4-(methylsulfonylmethyl)benzoyl]amino]pentanoic acid
CID 119203601
4-[[4-(dimethylamino)phenyl]sulfonylamino]-4-methylpentanoic acid
CID 122068851
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-[(3,5-dimethylbenzoyl)amino]-4-methylpentanoic acid
CID 62041965
4-[(4-chloro-3-methylbenzoyl)amino]-4-methylpentanoic acid
CID 112701096
4-[[3-[(dimethylamino)methyl]benzoyl]amino]-4-methylpentanoic acid
CID 119357228
4-methyl-4-[(4-pyrazol-1-ylbenzoyl)amino]pentanoic acid
CID 119203940

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(dimethylamino)benzoyl]amino]-4-methylpentanoic acid?
The IUPAC name of 4-[[4-(dimethylamino)benzoyl]amino]-4-methylpentanoic acid (CID 62044369) is 4-[[4-(dimethylamino)benzoyl]amino]-4-methylpentanoic acid.
What is the SMILES notation for 4-[[4-(dimethylamino)benzoyl]amino]-4-methylpentanoic acid?
The canonical SMILES for 4-[[4-(dimethylamino)benzoyl]amino]-4-methylpentanoic acid is CN(C)c1ccc(C(=O)NC(C)(C)CCC(=O)O)cc1.
What is the InChIKey of 4-[[4-(dimethylamino)benzoyl]amino]-4-methylpentanoic acid?
The InChIKey is VZTGXAICKHLFRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-15(2,10-9-13(18)19)16-14(20)11-5-7-12(8-6-11)17(3)4/h5-8H,9-10H2,1-4H3,(H,16,20)(H,18,19).
What are the key properties of 4-[[4-(dimethylamino)benzoyl]amino]-4-methylpentanoic acid?
4-[[4-(dimethylamino)benzoyl]amino]-4-methylpentanoic acid has a molecular weight of 278.35 g/mol, XLogP of 2.13, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(dimethylamino)benzoyl]amino]-4-methylpentanoic acid is sourced from PubChem (CID 62044369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).