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

C14H19NO4 — CID 43239741

IUPAC2-[methyl-[4-(2-methylpropoxy)benzoyl]amino]acetic acid
SMILESCC(C)COc1ccc(C(=O)N(C)CC(=O)O)cc1
InChIInChI=1S/C14H19NO4/c1-10(2)9-19-12-6-4-11(5-7-12)14(18)15(3)8-13(16)17/h4-7,10H,8-9H2,1-3H3,(H,16,17)
InChIKeyWGISIVCMOUFRJH-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.88
Rot. Bonds6

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

2-[methyl-[4-(2-methylpropoxy)benzoyl]amino]acetic acid (PubChem CID 43239741) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-[methyl-[4-(2-methylpropoxy)benzoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-[4-(2-methylpropoxy)benzoyl]amino]acetic acid
PubChem CID43239741
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name2-[methyl-[4-(2-methylpropoxy)benzoyl]amino]acetic acid
SMILESCC(C)COc1ccc(C(=O)N(C)CC(=O)O)cc1
InChIInChI=1S/C14H19NO4/c1-10(2)9-19-12-6-4-11(5-7-12)14(18)15(3)8-13(16)17/h4-7,10H,8-9H2,1-3H3,(H,16,17)
InChIKeyWGISIVCMOUFRJH-UHFFFAOYSA-N
XLogP1.88
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxypropyl)-N-methyl-4-(2-methylpropoxy)benzamide
CID 55061119
2-[methyl-(4-propoxybenzoyl)amino]acetic acid
CID 43239761
N-(2-hydroxy-2-methylpropyl)-N-methyl-4-(2-methylpropoxy)benzamide
CID 79381593
N-(5-hydroxypentyl)-N-methyl-4-(2-methylpropoxy)benzamide
CID 107202832
N,N-diethyl-4-(2-methylpropoxy)benzamide
CID 60635917
N-(1H-imidazol-2-ylmethyl)-N-methyl-4-(2-methylpropoxy)benzamide
CID 63940992
N-methyl-4-(2-methylpropoxy)-N-(2-pyridin-4-ylethyl)benzamide
CID 110440864
1-[4-(2-methylpropoxy)phenyl]ethanone
CID 2063678
4-(2-methylpropoxy)-N'-[4-(2-methylpropoxy)benzoyl]benzohydrazide
CID 4937273
2-[(4-benzoylbenzoyl)-methylamino]acetic acid
CID 175926821
(4-methoxyphenyl)-[4-(2-methylpropoxy)phenyl]methanone
CID 5023093
(4-methylphenyl)-[4-(2-methylpropoxy)phenyl]methanone
CID 786610

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[4-(2-methylpropoxy)benzoyl]amino]acetic acid?
The IUPAC name of 2-[methyl-[4-(2-methylpropoxy)benzoyl]amino]acetic acid (CID 43239741) is 2-[methyl-[4-(2-methylpropoxy)benzoyl]amino]acetic acid.
What is the SMILES notation for 2-[methyl-[4-(2-methylpropoxy)benzoyl]amino]acetic acid?
The canonical SMILES for 2-[methyl-[4-(2-methylpropoxy)benzoyl]amino]acetic acid is CC(C)COc1ccc(C(=O)N(C)CC(=O)O)cc1.
What is the InChIKey of 2-[methyl-[4-(2-methylpropoxy)benzoyl]amino]acetic acid?
The InChIKey is WGISIVCMOUFRJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-10(2)9-19-12-6-4-11(5-7-12)14(18)15(3)8-13(16)17/h4-7,10H,8-9H2,1-3H3,(H,16,17).
What are the key properties of 2-[methyl-[4-(2-methylpropoxy)benzoyl]amino]acetic acid?
2-[methyl-[4-(2-methylpropoxy)benzoyl]amino]acetic acid has a molecular weight of 265.31 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[4-(2-methylpropoxy)benzoyl]amino]acetic acid is sourced from PubChem (CID 43239741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).