4-[(3,5-dimethylbenzoyl)amino]-4-methylpentanoic acid

C15H21NO3 — CID 62041965

IUPAC4-[(3,5-dimethylbenzoyl)amino]-4-methylpentanoic acid
SMILESCc1cc(C)cc(C(=O)NC(C)(C)CCC(=O)O)c1
InChIInChI=1S/C15H21NO3/c1-10-7-11(2)9-12(8-10)14(19)16-15(3,4)6-5-13(17)18/h7-9H,5-6H2,1-4H3,(H,16,19)(H,17,18)
InChIKeyUHGFQDDTKBBQBV-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.68
Rot. Bonds5

About 4-[(3,5-dimethylbenzoyl)amino]-4-methylpentanoic acid

4-[(3,5-dimethylbenzoyl)amino]-4-methylpentanoic acid (PubChem CID 62041965) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 4-[(3,5-dimethylbenzoyl)amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name4-[(3,5-dimethylbenzoyl)amino]-4-methylpentanoic acid
PubChem CID62041965
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name4-[(3,5-dimethylbenzoyl)amino]-4-methylpentanoic acid
SMILESCc1cc(C)cc(C(=O)NC(C)(C)CCC(=O)O)c1
InChIInChI=1S/C15H21NO3/c1-10-7-11(2)9-12(8-10)14(19)16-15(3,4)6-5-13(17)18/h7-9H,5-6H2,1-4H3,(H,16,19)(H,17,18)
InChIKeyUHGFQDDTKBBQBV-UHFFFAOYSA-N
XLogP2.68
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(3-fluoro-5-methylbenzoyl)amino]-4-methylpentanoic acid
CID 91636058
4-[(4-amino-3,5-dichlorobenzoyl)amino]-4-methylpentanoic acid
CID 82832798
4-[[4-(hydroxymethyl)benzoyl]amino]-4-methylpentanoic acid
CID 62041548
4-[3-(3,5-dimethylphenyl)propanoylamino]-4-methylpentanoic acid
CID 120519483
4-[(4-chloro-3-methylbenzoyl)amino]-4-methylpentanoic acid
CID 112701096
N-(1-amino-2-methylpropan-2-yl)-3,5-dimethylbenzamide;hydrochloride
CID 119522804
4-methyl-4-(pyridine-4-carbonylamino)pentanoic acid
CID 62043256
4-[(2,5-dimethylbenzoyl)amino]-4-methylpentanoic acid
CID 62044588
4-methyl-4-(naphthalene-2-carbonylamino)pentanoic acid
CID 62041314
4-[(5-bromofuran-3-carbonyl)amino]-4-methylpentanoic acid
CID 119204071
4-[(3-fluorobenzoyl)amino]-4-methylpentanoic acid
CID 62042184
4-[(3-bromobenzoyl)amino]-4-methylpentanoic acid
CID 62041752

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethylbenzoyl)amino]-4-methylpentanoic acid?
The IUPAC name of 4-[(3,5-dimethylbenzoyl)amino]-4-methylpentanoic acid (CID 62041965) is 4-[(3,5-dimethylbenzoyl)amino]-4-methylpentanoic acid.
What is the SMILES notation for 4-[(3,5-dimethylbenzoyl)amino]-4-methylpentanoic acid?
The canonical SMILES for 4-[(3,5-dimethylbenzoyl)amino]-4-methylpentanoic acid is Cc1cc(C)cc(C(=O)NC(C)(C)CCC(=O)O)c1.
What is the InChIKey of 4-[(3,5-dimethylbenzoyl)amino]-4-methylpentanoic acid?
The InChIKey is UHGFQDDTKBBQBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-10-7-11(2)9-12(8-10)14(19)16-15(3,4)6-5-13(17)18/h7-9H,5-6H2,1-4H3,(H,16,19)(H,17,18).
What are the key properties of 4-[(3,5-dimethylbenzoyl)amino]-4-methylpentanoic acid?
4-[(3,5-dimethylbenzoyl)amino]-4-methylpentanoic acid has a molecular weight of 263.34 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethylbenzoyl)amino]-4-methylpentanoic acid is sourced from PubChem (CID 62041965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).