5-[(2-amino-2-methylpentanoyl)amino]-2,3-dimethylbenzoic acid

C15H22N2O3 — CID 63020011

IUPAC5-[(2-amino-2-methylpentanoyl)amino]-2,3-dimethylbenzoic acid
SMILESCCCC(C)(N)C(=O)Nc1cc(C)c(C)c(C(=O)O)c1
InChIInChI=1S/C15H22N2O3/c1-5-6-15(4,16)14(20)17-11-7-9(2)10(3)12(8-11)13(18)19/h7-8H,5-6,16H2,1-4H3,(H,17,20)(H,18,19)
InChIKeyPFVZHDOYKANQSP-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.46
Rot. Bonds5

About 5-[(2-amino-2-methylpentanoyl)amino]-2,3-dimethylbenzoic acid

5-[(2-amino-2-methylpentanoyl)amino]-2,3-dimethylbenzoic acid (PubChem CID 63020011) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 5-[(2-amino-2-methylpentanoyl)amino]-2,3-dimethylbenzoic acid.

Molecular Properties

Compound Name5-[(2-amino-2-methylpentanoyl)amino]-2,3-dimethylbenzoic acid
PubChem CID63020011
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name5-[(2-amino-2-methylpentanoyl)amino]-2,3-dimethylbenzoic acid
SMILESCCCC(C)(N)C(=O)Nc1cc(C)c(C)c(C(=O)O)c1
InChIInChI=1S/C15H22N2O3/c1-5-6-15(4,16)14(20)17-11-7-9(2)10(3)12(8-11)13(18)19/h7-8H,5-6,16H2,1-4H3,(H,17,20)(H,18,19)
InChIKeyPFVZHDOYKANQSP-UHFFFAOYSA-N
XLogP2.46
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(2-amino-2-methylbutanoyl)amino]-2,3-dimethylbenzoic acid
CID 79810891
5-[(3-amino-3-methylbutanoyl)amino]-2,3-dimethylbenzoic acid
CID 64676851
4-[(2-amino-2-methylpentanoyl)amino]benzoic acid
CID 61156660
5-acetamido-2,3-dimethylbenzoic acid
CID 63020849
2-[(2-amino-2-methylpentanoyl)amino]-4,5-difluorobenzoic acid
CID 62866091
5-[[(2S)-2-aminopentanoyl]amino]-2,3-dimethylbenzoic acid
CID 107569648
2-[(2-amino-2-methylpentanoyl)amino]benzoic acid
CID 61157007
2,3-dimethyl-5-(2-methylbutanoylamino)benzoic acid
CID 63020676
2-amino-N-(3,5-difluoro-4-iodophenyl)-2-methylpentanamide;hydrochloride
CID 119764617
5-[(2-amino-2-methylpentanoyl)amino]-2-chlorobenzamide;hydrochloride
CID 119711593
2-amino-N-[4-(ethylsulfonylamino)-3-methylphenyl]-2-methylpentanamide
CID 119739311
2,3-dimethyl-5-(2-methylpropoxycarbonylamino)benzoic acid
CID 63021039

Frequently Asked Questions

What is the IUPAC name of 5-[(2-amino-2-methylpentanoyl)amino]-2,3-dimethylbenzoic acid?
The IUPAC name of 5-[(2-amino-2-methylpentanoyl)amino]-2,3-dimethylbenzoic acid (CID 63020011) is 5-[(2-amino-2-methylpentanoyl)amino]-2,3-dimethylbenzoic acid.
What is the SMILES notation for 5-[(2-amino-2-methylpentanoyl)amino]-2,3-dimethylbenzoic acid?
The canonical SMILES for 5-[(2-amino-2-methylpentanoyl)amino]-2,3-dimethylbenzoic acid is CCCC(C)(N)C(=O)Nc1cc(C)c(C)c(C(=O)O)c1.
What is the InChIKey of 5-[(2-amino-2-methylpentanoyl)amino]-2,3-dimethylbenzoic acid?
The InChIKey is PFVZHDOYKANQSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-5-6-15(4,16)14(20)17-11-7-9(2)10(3)12(8-11)13(18)19/h7-8H,5-6,16H2,1-4H3,(H,17,20)(H,18,19).
What are the key properties of 5-[(2-amino-2-methylpentanoyl)amino]-2,3-dimethylbenzoic acid?
5-[(2-amino-2-methylpentanoyl)amino]-2,3-dimethylbenzoic acid has a molecular weight of 278.35 g/mol, XLogP of 2.46, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-amino-2-methylpentanoyl)amino]-2,3-dimethylbenzoic acid is sourced from PubChem (CID 63020011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).