2-[(3-methoxy-4-methylbenzoyl)-(2-methylpropyl)amino]acetic acid

C15H21NO4 — CID 62033906

IUPAC2-[(3-methoxy-4-methylbenzoyl)-(2-methylpropyl)amino]acetic acid
SMILESCOc1cc(C(=O)N(CC(=O)O)CC(C)C)ccc1C
InChIInChI=1S/C15H21NO4/c1-10(2)8-16(9-14(17)18)15(19)12-6-5-11(3)13(7-12)20-4/h5-7,10H,8-9H2,1-4H3,(H,17,18)
InChIKeyORKUQWVKJHFBPX-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.19
Rot. Bonds6

About 2-[(3-methoxy-4-methylbenzoyl)-(2-methylpropyl)amino]acetic acid

2-[(3-methoxy-4-methylbenzoyl)-(2-methylpropyl)amino]acetic acid (PubChem CID 62033906) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-[(3-methoxy-4-methylbenzoyl)-(2-methylpropyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(3-methoxy-4-methylbenzoyl)-(2-methylpropyl)amino]acetic acid
PubChem CID62033906
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name2-[(3-methoxy-4-methylbenzoyl)-(2-methylpropyl)amino]acetic acid
SMILESCOc1cc(C(=O)N(CC(=O)O)CC(C)C)ccc1C
InChIInChI=1S/C15H21NO4/c1-10(2)8-16(9-14(17)18)15(19)12-6-5-11(3)13(7-12)20-4/h5-7,10H,8-9H2,1-4H3,(H,17,18)
InChIKeyORKUQWVKJHFBPX-UHFFFAOYSA-N
XLogP2.19
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[ethyl-(3-methoxy-4-methylbenzoyl)amino]acetic acid
CID 54900774
2-[[4-(2-amino-2-oxoethoxy)-3-methoxybenzoyl]-(2-methylpropyl)amino]acetic acid
CID 119192734
3-[(3-methoxy-4-methylbenzoyl)-propan-2-ylamino]propanoic acid
CID 60831904
2-[(3-methylbenzoyl)-(2-methylpropyl)amino]acetic acid
CID 55133359
3-[ethyl-(3-methoxy-4-methylbenzoyl)amino]propanoic acid
CID 54898498
2-[[4-methoxy-3-(2-oxoimidazolidin-1-yl)benzoyl]-(2-methylpropyl)amino]acetic acid
CID 120517125
2-[[3-(cyclopropylsulfamoyl)-4-methoxybenzoyl]-(2-methylpropyl)amino]acetic acid
CID 119192622
N-(3-methoxy-4-methylphenyl)-N-(2-methylpropyl)benzamide
CID 70967375
N-(2-aminoethyl)-3-methoxy-4-methyl-N-propan-2-ylbenzamide
CID 61350677
2-[3H-benzimidazole-5-carbonyl(2-methylpropyl)amino]acetic acid
CID 63072381
2-[[2-(aminomethyl)pyridine-4-carbonyl]-(2-methylpropyl)amino]acetic acid
CID 114326521
N-(2-amino-2-oxoethyl)-3-hydroxy-4-methyl-N-(2-methylpropyl)benzamide
CID 55003400

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxy-4-methylbenzoyl)-(2-methylpropyl)amino]acetic acid?
The IUPAC name of 2-[(3-methoxy-4-methylbenzoyl)-(2-methylpropyl)amino]acetic acid (CID 62033906) is 2-[(3-methoxy-4-methylbenzoyl)-(2-methylpropyl)amino]acetic acid.
What is the SMILES notation for 2-[(3-methoxy-4-methylbenzoyl)-(2-methylpropyl)amino]acetic acid?
The canonical SMILES for 2-[(3-methoxy-4-methylbenzoyl)-(2-methylpropyl)amino]acetic acid is COc1cc(C(=O)N(CC(=O)O)CC(C)C)ccc1C.
What is the InChIKey of 2-[(3-methoxy-4-methylbenzoyl)-(2-methylpropyl)amino]acetic acid?
The InChIKey is ORKUQWVKJHFBPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-10(2)8-16(9-14(17)18)15(19)12-6-5-11(3)13(7-12)20-4/h5-7,10H,8-9H2,1-4H3,(H,17,18).
What are the key properties of 2-[(3-methoxy-4-methylbenzoyl)-(2-methylpropyl)amino]acetic acid?
2-[(3-methoxy-4-methylbenzoyl)-(2-methylpropyl)amino]acetic acid has a molecular weight of 279.34 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxy-4-methylbenzoyl)-(2-methylpropyl)amino]acetic acid is sourced from PubChem (CID 62033906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).