2-[methyl-[5-oxo-5-(2,4,6-trimethylphenyl)pentanoyl]amino]acetic acid

C17H23NO4 — CID 119346315

IUPAC2-[methyl-[5-oxo-5-(2,4,6-trimethylphenyl)pentanoyl]amino]acetic acid
SMILESCc1cc(C)c(C(=O)CCCC(=O)N(C)CC(=O)O)c(C)c1
InChIInChI=1S/C17H23NO4/c1-11-8-12(2)17(13(3)9-11)14(19)6-5-7-15(20)18(4)10-16(21)22/h8-9H,5-7,10H2,1-4H3,(H,21,22)
InChIKeyNBYJERMHAZSIIU-UHFFFAOYSA-N
MW305.37 g/mol
LogP2.51
Rot. Bonds7

About 2-[methyl-[5-oxo-5-(2,4,6-trimethylphenyl)pentanoyl]amino]acetic acid

2-[methyl-[5-oxo-5-(2,4,6-trimethylphenyl)pentanoyl]amino]acetic acid (PubChem CID 119346315) has the molecular formula C17H23NO4 and a molecular weight of 305.37 g/mol. Its IUPAC name is 2-[methyl-[5-oxo-5-(2,4,6-trimethylphenyl)pentanoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-[5-oxo-5-(2,4,6-trimethylphenyl)pentanoyl]amino]acetic acid
PubChem CID119346315
Molecular FormulaC17H23NO4
Molecular Weight305.37 g/mol
Exact Mass305.16
IUPAC Name2-[methyl-[5-oxo-5-(2,4,6-trimethylphenyl)pentanoyl]amino]acetic acid
SMILESCc1cc(C)c(C(=O)CCCC(=O)N(C)CC(=O)O)c(C)c1
InChIInChI=1S/C17H23NO4/c1-11-8-12(2)17(13(3)9-11)14(19)6-5-7-15(20)18(4)10-16(21)22/h8-9H,5-7,10H2,1-4H3,(H,21,22)
InChIKeyNBYJERMHAZSIIU-UHFFFAOYSA-N
XLogP2.51
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[methyl-[5-oxo-5-(2,4,6-trimethylphenyl)pentanoyl]amino]acetic 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

2-[4-(2,5-dimethylphenyl)butanoyl-methylamino]acetic acid
CID 98017340
5-cyclopenta-2,4-dien-1-ylidene-5-hydroxy-1-(2,4,6-trimethylphenyl)pentan-1-one
CID 131710360
5-(2-methoxy-4,6-dimethylphenyl)-5-oxopentanoic acid
CID 98784357
2-[5-(2,5-dimethylphenoxy)pentanoyl-methylamino]acetic acid
CID 119172218
2-[3-(2,4-dimethylphenoxy)propanoyl-methylamino]acetic acid
CID 43356257
4-oxo-4-(2,4,6-trimethylphenyl)butanamide
CID 82079539
2-[methyl(nonadecanoyl)amino]acetic acid
CID 13318293
7-oxo-2-propan-2-yl-7-(2,4,6-trimethylphenyl)heptanoic acid
CID 161040773
2-[[2-(2,5-dimethylphenyl)acetyl]-methylamino]acetic acid
CID 62538496
N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-N',N'-dipropylpentanediamide
CID 56540496
2-[methyl-[4-(2-methyl-4-pyridinyl)butanoyl]amino]acetic acid
CID 20689264
2-[6-fluorohexanoyl(methyl)amino]acetic acid
CID 101279688

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[5-oxo-5-(2,4,6-trimethylphenyl)pentanoyl]amino]acetic acid?
The IUPAC name of 2-[methyl-[5-oxo-5-(2,4,6-trimethylphenyl)pentanoyl]amino]acetic acid (CID 119346315) is 2-[methyl-[5-oxo-5-(2,4,6-trimethylphenyl)pentanoyl]amino]acetic acid.
What is the SMILES notation for 2-[methyl-[5-oxo-5-(2,4,6-trimethylphenyl)pentanoyl]amino]acetic acid?
The canonical SMILES for 2-[methyl-[5-oxo-5-(2,4,6-trimethylphenyl)pentanoyl]amino]acetic acid is Cc1cc(C)c(C(=O)CCCC(=O)N(C)CC(=O)O)c(C)c1.
What is the InChIKey of 2-[methyl-[5-oxo-5-(2,4,6-trimethylphenyl)pentanoyl]amino]acetic acid?
The InChIKey is NBYJERMHAZSIIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO4/c1-11-8-12(2)17(13(3)9-11)14(19)6-5-7-15(20)18(4)10-16(21)22/h8-9H,5-7,10H2,1-4H3,(H,21,22).
What are the key properties of 2-[methyl-[5-oxo-5-(2,4,6-trimethylphenyl)pentanoyl]amino]acetic acid?
2-[methyl-[5-oxo-5-(2,4,6-trimethylphenyl)pentanoyl]amino]acetic acid has a molecular weight of 305.37 g/mol, XLogP of 2.51, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[5-oxo-5-(2,4,6-trimethylphenyl)pentanoyl]amino]acetic acid is sourced from PubChem (CID 119346315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).