4-methyl-2-[[4-(2-methylpropoxy)benzoyl]amino]pentanoic acid

C17H25NO4 — CID 659183

IUPAC4-methyl-2-[[4-(2-methylpropoxy)benzoyl]amino]pentanoic acid
SMILESCC(C)COc1ccc(C(=O)NC(CC(C)C)C(=O)O)cc1
InChIInChI=1S/C17H25NO4/c1-11(2)9-15(17(20)21)18-16(19)13-5-7-14(8-6-13)22-10-12(3)4/h5-8,11-12,15H,9-10H2,1-4H3,(H,18,19)(H,20,21)
InChIKeyMKPLKRMGHBZGHF-UHFFFAOYSA-N
MW307.39 g/mol
LogP2.95
Rot. Bonds8

About 4-methyl-2-[[4-(2-methylpropoxy)benzoyl]amino]pentanoic acid

4-methyl-2-[[4-(2-methylpropoxy)benzoyl]amino]pentanoic acid (PubChem CID 659183) has the molecular formula C17H25NO4 and a molecular weight of 307.39 g/mol. Its IUPAC name is 4-methyl-2-[[4-(2-methylpropoxy)benzoyl]amino]pentanoic acid.

Molecular Properties

Compound Name4-methyl-2-[[4-(2-methylpropoxy)benzoyl]amino]pentanoic acid
PubChem CID659183
Molecular FormulaC17H25NO4
Molecular Weight307.39 g/mol
Exact Mass307.18
IUPAC Name4-methyl-2-[[4-(2-methylpropoxy)benzoyl]amino]pentanoic acid
SMILESCC(C)COc1ccc(C(=O)NC(CC(C)C)C(=O)O)cc1
InChIInChI=1S/C17H25NO4/c1-11(2)9-15(17(20)21)18-16(19)13-5-7-14(8-6-13)22-10-12(3)4/h5-8,11-12,15H,9-10H2,1-4H3,(H,18,19)(H,20,21)
InChIKeyMKPLKRMGHBZGHF-UHFFFAOYSA-N
XLogP2.95
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[[4-(2-methylpropoxy)benzoyl]amino]pentanoic acid?
The IUPAC name of 4-methyl-2-[[4-(2-methylpropoxy)benzoyl]amino]pentanoic acid (CID 659183) is 4-methyl-2-[[4-(2-methylpropoxy)benzoyl]amino]pentanoic acid.
What is the SMILES notation for 4-methyl-2-[[4-(2-methylpropoxy)benzoyl]amino]pentanoic acid?
The canonical SMILES for 4-methyl-2-[[4-(2-methylpropoxy)benzoyl]amino]pentanoic acid is CC(C)COc1ccc(C(=O)NC(CC(C)C)C(=O)O)cc1.
What is the InChIKey of 4-methyl-2-[[4-(2-methylpropoxy)benzoyl]amino]pentanoic acid?
The InChIKey is MKPLKRMGHBZGHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO4/c1-11(2)9-15(17(20)21)18-16(19)13-5-7-14(8-6-13)22-10-12(3)4/h5-8,11-12,15H,9-10H2,1-4H3,(H,18,19)(H,20,21).
What are the key properties of 4-methyl-2-[[4-(2-methylpropoxy)benzoyl]amino]pentanoic acid?
4-methyl-2-[[4-(2-methylpropoxy)benzoyl]amino]pentanoic acid has a molecular weight of 307.39 g/mol, XLogP of 2.95, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[[4-(2-methylpropoxy)benzoyl]amino]pentanoic acid is sourced from PubChem (CID 659183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).