2-[methyl-(3-methylphenoxy)carbonylamino]acetic acid

C11H13NO4 — CID 116819537

IUPAC2-[methyl-(3-methylphenoxy)carbonylamino]acetic acid
SMILESCc1cccc(OC(=O)N(C)CC(=O)O)c1
InChIInChI=1S/C11H13NO4/c1-8-4-3-5-9(6-8)16-11(15)12(2)7-10(13)14/h3-6H,7H2,1-2H3,(H,13,14)
InChIKeyHNJXLKULWVBAPM-UHFFFAOYSA-N
MW223.23 g/mol
LogP1.51
Rot. Bonds3

About 2-[methyl-(3-methylphenoxy)carbonylamino]acetic acid

2-[methyl-(3-methylphenoxy)carbonylamino]acetic acid (PubChem CID 116819537) has the molecular formula C11H13NO4 and a molecular weight of 223.23 g/mol. Its IUPAC name is 2-[methyl-(3-methylphenoxy)carbonylamino]acetic acid.

Molecular Properties

Compound Name2-[methyl-(3-methylphenoxy)carbonylamino]acetic acid
PubChem CID116819537
Molecular FormulaC11H13NO4
Molecular Weight223.23 g/mol
Exact Mass223.08
IUPAC Name2-[methyl-(3-methylphenoxy)carbonylamino]acetic acid
SMILESCc1cccc(OC(=O)N(C)CC(=O)O)c1
InChIInChI=1S/C11H13NO4/c1-8-4-3-5-9(6-8)16-11(15)12(2)7-10(13)14/h3-6H,7H2,1-2H3,(H,13,14)
InChIKeyHNJXLKULWVBAPM-UHFFFAOYSA-N
XLogP1.51
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-ethylphenoxy)carbonyl-methylamino]acetic acid
CID 116819552
(3-methylphenyl) N-(2-cyanoethyl)-N-methylcarbamate
CID 116819905
2-[tert-butyl-[2-(3-methylphenoxy)ethyl]amino]acetic acid
CID 79269116
bis(3-methylphenyl) pentanedioate
CID 70246036
phenyl N-methyl-N-[2-[methyl(phenoxycarbonyl)amino]ethyl]carbamate
CID 124926393
(3-methylphenyl) 3-aminopropanoate
CID 82111471
2-[tert-butyl-[2-(3-methylphenoxy)acetyl]amino]acetic acid
CID 79266699
(3-propan-2-ylphenyl) N-(2-amino-2-oxoethyl)-N-methylcarbamate
CID 59994554
2-[[2-(3-methylphenoxy)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79265254
(3-methylphenyl) 2-[(3R,4S)-4-[2-(3-methylphenoxy)-2-oxoethyl]-1,1-dioxothiolan-3-yl]acetate
CID 6974598
2,3-dihydroxybutanedioic acid;[3-[1-(dimethylamino)ethyl]phenyl] N-ethyl-N-methylcarbamate
CID 14254240
4-[methyl-[2-(3-methylphenoxy)acetyl]amino]butanoic acid
CID 43240315

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(3-methylphenoxy)carbonylamino]acetic acid?
The IUPAC name of 2-[methyl-(3-methylphenoxy)carbonylamino]acetic acid (CID 116819537) is 2-[methyl-(3-methylphenoxy)carbonylamino]acetic acid.
What is the SMILES notation for 2-[methyl-(3-methylphenoxy)carbonylamino]acetic acid?
The canonical SMILES for 2-[methyl-(3-methylphenoxy)carbonylamino]acetic acid is Cc1cccc(OC(=O)N(C)CC(=O)O)c1.
What is the InChIKey of 2-[methyl-(3-methylphenoxy)carbonylamino]acetic acid?
The InChIKey is HNJXLKULWVBAPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO4/c1-8-4-3-5-9(6-8)16-11(15)12(2)7-10(13)14/h3-6H,7H2,1-2H3,(H,13,14).
What are the key properties of 2-[methyl-(3-methylphenoxy)carbonylamino]acetic acid?
2-[methyl-(3-methylphenoxy)carbonylamino]acetic acid has a molecular weight of 223.23 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(3-methylphenoxy)carbonylamino]acetic acid is sourced from PubChem (CID 116819537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).