2-acetamido-5-methoxybenzoate

C10H10NO4- — CID 6928297

IUPAC2-acetamido-5-methoxybenzoate
SMILESCOc1ccc(NC(C)=O)c(C(=O)[O-])c1
InChIInChI=1S/C10H11NO4/c1-6(12)11-9-4-3-7(15-2)5-8(9)10(13)14/h3-5H,1-2H3,(H,11,12)(H,13,14)/p-1
InChIKeyPNPVAHPGYGAYIP-UHFFFAOYSA-M
MW208.19 g/mol
LogP0.02
Rot. Bonds3

About 2-acetamido-5-methoxybenzoate

2-acetamido-5-methoxybenzoate (PubChem CID 6928297) has the molecular formula C10H10NO4- and a molecular weight of 208.19 g/mol. Its IUPAC name is 2-acetamido-5-methoxybenzoate.

Molecular Properties

Compound Name2-acetamido-5-methoxybenzoate
PubChem CID6928297
Molecular FormulaC10H10NO4-
Molecular Weight208.19 g/mol
Exact Mass208.06
IUPAC Name2-acetamido-5-methoxybenzoate
SMILESCOc1ccc(NC(C)=O)c(C(=O)[O-])c1
InChIInChI=1S/C10H11NO4/c1-6(12)11-9-4-3-7(15-2)5-8(9)10(13)14/h3-5H,1-2H3,(H,11,12)(H,13,14)/p-1
InChIKeyPNPVAHPGYGAYIP-UHFFFAOYSA-M
XLogP0.02
TPSA78.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.19
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-aminopropanoyl)-4-methoxyphenyl]acetamide
CID 105497647
2-(2-chloroanilino)-5-methoxybenzoate
CID 7098725
2,4-dimethoxybenzoate
CID 6947027
2-(carboxylatomethyl)-5-methoxybenzoate
CID 2305422
(4-acetamido-3-methoxyphenyl) sulfate
CID 122164830
tert-butyl N-(4-methoxy-2-prop-1-en-2-ylphenyl)carbamate
CID 71540754
2-ethyl-4-methoxybenzoate
CID 23362607
2-(3-methoxyanilino)benzoate
CID 6943552
5-methoxy-2-(phenoxycarbonylamino)benzoic acid
CID 115411200
5-methoxy-2-(methylamino)benzamide
CID 66991664
5-methoxy-2-(3-methylbut-2-enylcarbamoylamino)benzoic acid
CID 106191120
2-(diethylcarbamoylamino)-5-methoxybenzoic acid
CID 113304987

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-5-methoxybenzoate?
The IUPAC name of 2-acetamido-5-methoxybenzoate (CID 6928297) is 2-acetamido-5-methoxybenzoate.
What is the SMILES notation for 2-acetamido-5-methoxybenzoate?
The canonical SMILES for 2-acetamido-5-methoxybenzoate is COc1ccc(NC(C)=O)c(C(=O)[O-])c1.
What is the InChIKey of 2-acetamido-5-methoxybenzoate?
The InChIKey is PNPVAHPGYGAYIP-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H11NO4/c1-6(12)11-9-4-3-7(15-2)5-8(9)10(13)14/h3-5H,1-2H3,(H,11,12)(H,13,14)/p-1.
What are the key properties of 2-acetamido-5-methoxybenzoate?
2-acetamido-5-methoxybenzoate has a molecular weight of 208.19 g/mol, XLogP of 0.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-5-methoxybenzoate is sourced from PubChem (CID 6928297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).