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

C13H17NO4 — CID 54900774

IUPAC2-[ethyl-(3-methoxy-4-methylbenzoyl)amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)c1ccc(C)c(OC)c1
InChIInChI=1S/C13H17NO4/c1-4-14(8-12(15)16)13(17)10-6-5-9(2)11(7-10)18-3/h5-7H,4,8H2,1-3H3,(H,15,16)
InChIKeyNESANHZGSGTNAA-UHFFFAOYSA-N
MW251.28 g/mol
LogP1.55
Rot. Bonds5

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

2-[ethyl-(3-methoxy-4-methylbenzoyl)amino]acetic acid (PubChem CID 54900774) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is 2-[ethyl-(3-methoxy-4-methylbenzoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl-(3-methoxy-4-methylbenzoyl)amino]acetic acid
PubChem CID54900774
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Name2-[ethyl-(3-methoxy-4-methylbenzoyl)amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)c1ccc(C)c(OC)c1
InChIInChI=1S/C13H17NO4/c1-4-14(8-12(15)16)13(17)10-6-5-9(2)11(7-10)18-3/h5-7H,4,8H2,1-3H3,(H,15,16)
InChIKeyNESANHZGSGTNAA-UHFFFAOYSA-N
XLogP1.55
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[ethyl-(3-methoxy-4-methylbenzoyl)amino]propanoic acid
CID 54898498
2-[(3-methoxy-4-methylbenzoyl)-(2-methylpropyl)amino]acetic acid
CID 62033906
N-ethyl-3-methoxy-N-[2-(2-methoxyanilino)-2-oxoethyl]-4-methylbenzamide
CID 46563290
N,N-diethyl-4-methoxy-3-methylbenzamide
CID 10353462
N-(3-amino-3-hydroxyiminopropyl)-N-ethyl-3-methoxy-4-methylbenzamide
CID 76910609
2-[ethyl-[4-(2-methoxyethoxy)benzoyl]amino]acetic acid
CID 119206355
N-cyclopentyl-N-ethyl-3-methoxy-4-methylbenzamide
CID 134060958
N-(2-hydroxyethyl)-3-methoxy-N-(2-methoxyethyl)-4-methylbenzamide
CID 115772556
1-(3-methoxy-4-methylphenyl)propan-1-one
CID 71349712
3-[(3-methoxy-4-methylbenzoyl)-propan-2-ylamino]propanoic acid
CID 60831904
2-[(4-ethoxy-3-methoxybenzoyl)-prop-2-enylamino]acetic acid
CID 79264534
N-(2-hydroxyethyl)-3-methoxy-4-methyl-N-(2-phenylethyl)benzamide
CID 111122063

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-(3-methoxy-4-methylbenzoyl)amino]acetic acid?
The IUPAC name of 2-[ethyl-(3-methoxy-4-methylbenzoyl)amino]acetic acid (CID 54900774) is 2-[ethyl-(3-methoxy-4-methylbenzoyl)amino]acetic acid.
What is the SMILES notation for 2-[ethyl-(3-methoxy-4-methylbenzoyl)amino]acetic acid?
The canonical SMILES for 2-[ethyl-(3-methoxy-4-methylbenzoyl)amino]acetic acid is CCN(CC(=O)O)C(=O)c1ccc(C)c(OC)c1.
What is the InChIKey of 2-[ethyl-(3-methoxy-4-methylbenzoyl)amino]acetic acid?
The InChIKey is NESANHZGSGTNAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4/c1-4-14(8-12(15)16)13(17)10-6-5-9(2)11(7-10)18-3/h5-7H,4,8H2,1-3H3,(H,15,16).
What are the key properties of 2-[ethyl-(3-methoxy-4-methylbenzoyl)amino]acetic acid?
2-[ethyl-(3-methoxy-4-methylbenzoyl)amino]acetic acid has a molecular weight of 251.28 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-(3-methoxy-4-methylbenzoyl)amino]acetic acid is sourced from PubChem (CID 54900774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).