4-[(2,5-dimethylbenzoyl)amino]-4-methylpentanoic acid

C15H21NO3 — CID 62044588

IUPAC4-[(2,5-dimethylbenzoyl)amino]-4-methylpentanoic acid
SMILESCc1ccc(C)c(C(=O)NC(C)(C)CCC(=O)O)c1
InChIInChI=1S/C15H21NO3/c1-10-5-6-11(2)12(9-10)14(19)16-15(3,4)8-7-13(17)18/h5-6,9H,7-8H2,1-4H3,(H,16,19)(H,17,18)
InChIKeyUTXUUCKPSHMHHD-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.68
Rot. Bonds5

About 4-[(2,5-dimethylbenzoyl)amino]-4-methylpentanoic acid

4-[(2,5-dimethylbenzoyl)amino]-4-methylpentanoic acid (PubChem CID 62044588) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 4-[(2,5-dimethylbenzoyl)amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name4-[(2,5-dimethylbenzoyl)amino]-4-methylpentanoic acid
PubChem CID62044588
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name4-[(2,5-dimethylbenzoyl)amino]-4-methylpentanoic acid
SMILESCc1ccc(C)c(C(=O)NC(C)(C)CCC(=O)O)c1
InChIInChI=1S/C15H21NO3/c1-10-5-6-11(2)12(9-10)14(19)16-15(3,4)8-7-13(17)18/h5-6,9H,7-8H2,1-4H3,(H,16,19)(H,17,18)
InChIKeyUTXUUCKPSHMHHD-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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Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-dimethylbenzoyl)amino]-4-methylpentanoic acid?
The IUPAC name of 4-[(2,5-dimethylbenzoyl)amino]-4-methylpentanoic acid (CID 62044588) is 4-[(2,5-dimethylbenzoyl)amino]-4-methylpentanoic acid.
What is the SMILES notation for 4-[(2,5-dimethylbenzoyl)amino]-4-methylpentanoic acid?
The canonical SMILES for 4-[(2,5-dimethylbenzoyl)amino]-4-methylpentanoic acid is Cc1ccc(C)c(C(=O)NC(C)(C)CCC(=O)O)c1.
What is the InChIKey of 4-[(2,5-dimethylbenzoyl)amino]-4-methylpentanoic acid?
The InChIKey is UTXUUCKPSHMHHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-10-5-6-11(2)12(9-10)14(19)16-15(3,4)8-7-13(17)18/h5-6,9H,7-8H2,1-4H3,(H,16,19)(H,17,18).
What are the key properties of 4-[(2,5-dimethylbenzoyl)amino]-4-methylpentanoic acid?
4-[(2,5-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-[(2,5-dimethylbenzoyl)amino]-4-methylpentanoic acid is sourced from PubChem (CID 62044588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).