2-amino-5-(4-methylbenzoyl)oxyhexanoic acid

C14H19NO4 — CID 178040029

IUPAC2-amino-5-(4-methylbenzoyl)oxyhexanoic acid
SMILESCc1ccc(C(=O)OC(C)CCC(N)C(=O)O)cc1
InChIInChI=1S/C14H19NO4/c1-9-3-6-11(7-4-9)14(18)19-10(2)5-8-12(15)13(16)17/h3-4,6-7,10,12H,5,8,15H2,1-2H3,(H,16,17)
InChIKeyMIJTYTBPOAQKRG-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.73
Rot. Bonds6

About 2-amino-5-(4-methylbenzoyl)oxyhexanoic acid

2-amino-5-(4-methylbenzoyl)oxyhexanoic acid (PubChem CID 178040029) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-amino-5-(4-methylbenzoyl)oxyhexanoic acid.

Molecular Properties

Compound Name2-amino-5-(4-methylbenzoyl)oxyhexanoic acid
PubChem CID178040029
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name2-amino-5-(4-methylbenzoyl)oxyhexanoic acid
SMILESCc1ccc(C(=O)OC(C)CCC(N)C(=O)O)cc1
InChIInChI=1S/C14H19NO4/c1-9-3-6-11(7-4-9)14(18)19-10(2)5-8-12(15)13(16)17/h3-4,6-7,10,12H,5,8,15H2,1-2H3,(H,16,17)
InChIKeyMIJTYTBPOAQKRG-UHFFFAOYSA-N
XLogP1.73
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-amino-5-(4-methylbenzoyl)oxyhexanoic 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

5,6,9-trimethyldecan-2-yl 4-methylbenzoate
CID 144725619
(2S)-2-amino-5-(4-methylbenzoyl)oxy-5-oxopentanoic acid
CID 174341310
3-(4-methylbenzoyl)oxybutan-2-yl 4-methylbenzoate
CID 71272137
[(2R)-octan-2-yl] 4-methylbenzoate
CID 15358408
butan-2-yl 4-methylbenzoate;ethane
CID 157040400
1-pyrrolidin-1-ylpropan-2-yl 4-methylbenzoate
CID 3152959
2,3-bis[(4-methylbenzoyl)oxy]propanoic acid;ethane
CID 143935752
4-(5-methylheptan-2-yloxycarbonyl)benzoic acid
CID 174716947
2-amino-3-[(4-methylbenzoyl)amino]propanoic acid
CID 69303250
4-[4-(5-hydroxypentan-2-yloxycarbonyl)phenyl]benzoic acid
CID 102123438
[(2S)-pentan-2-yl] benzoate
CID 101019298
3-(4-aminobenzoyl)oxybutyl 4-aminobenzoate
CID 13188750

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(4-methylbenzoyl)oxyhexanoic acid?
The IUPAC name of 2-amino-5-(4-methylbenzoyl)oxyhexanoic acid (CID 178040029) is 2-amino-5-(4-methylbenzoyl)oxyhexanoic acid.
What is the SMILES notation for 2-amino-5-(4-methylbenzoyl)oxyhexanoic acid?
The canonical SMILES for 2-amino-5-(4-methylbenzoyl)oxyhexanoic acid is Cc1ccc(C(=O)OC(C)CCC(N)C(=O)O)cc1.
What is the InChIKey of 2-amino-5-(4-methylbenzoyl)oxyhexanoic acid?
The InChIKey is MIJTYTBPOAQKRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-9-3-6-11(7-4-9)14(18)19-10(2)5-8-12(15)13(16)17/h3-4,6-7,10,12H,5,8,15H2,1-2H3,(H,16,17).
What are the key properties of 2-amino-5-(4-methylbenzoyl)oxyhexanoic acid?
2-amino-5-(4-methylbenzoyl)oxyhexanoic acid has a molecular weight of 265.31 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(4-methylbenzoyl)oxyhexanoic acid is sourced from PubChem (CID 178040029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).