2-[3-(ethylcarbamoyloxy)phenyl]acetic acid

C11H13NO4 — CID 144799433

IUPAC2-[3-(ethylcarbamoyloxy)phenyl]acetic acid
SMILESCCNC(=O)Oc1cccc(CC(=O)O)c1
InChIInChI=1S/C11H13NO4/c1-2-12-11(15)16-9-5-3-4-8(6-9)7-10(13)14/h3-6H,2,7H2,1H3,(H,12,15)(H,13,14)
InChIKeyISSXFKBWPWAASI-UHFFFAOYSA-N
MW223.23 g/mol
LogP1.42
Rot. Bonds4

About 2-[3-(ethylcarbamoyloxy)phenyl]acetic acid

2-[3-(ethylcarbamoyloxy)phenyl]acetic acid (PubChem CID 144799433) has the molecular formula C11H13NO4 and a molecular weight of 223.23 g/mol. Its IUPAC name is 2-[3-(ethylcarbamoyloxy)phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-(ethylcarbamoyloxy)phenyl]acetic acid
PubChem CID144799433
Molecular FormulaC11H13NO4
Molecular Weight223.23 g/mol
Exact Mass223.08
IUPAC Name2-[3-(ethylcarbamoyloxy)phenyl]acetic acid
SMILESCCNC(=O)Oc1cccc(CC(=O)O)c1
InChIInChI=1S/C11H13NO4/c1-2-12-11(15)16-9-5-3-4-8(6-9)7-10(13)14/h3-6H,2,7H2,1H3,(H,12,15)(H,13,14)
InChIKeyISSXFKBWPWAASI-UHFFFAOYSA-N
XLogP1.42
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[3-(ethylcarbamoyloxy)phenyl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-(2-chloroacetyl)oxyphenyl]acetic acid
CID 56620307
2-[3-(2,2,2-trifluoroacetyl)oxyphenyl]acetic acid
CID 54390666
2-(3-fluorooxyphenyl)acetic acid
CID 69494655
(3-nitrophenyl) N-ethylcarbamate
CID 57143264
2-(3-trimethylsilyloxyphenyl)acetic acid
CID 167737399
2-[3-(ethoxymethoxy)phenyl]acetic acid
CID 65364927
[3-(diethylamino)phenyl] N-ethylcarbamate;iodomethane
CID 23621882
2-[3-(3-methoxyphenoxy)phenyl]acetic acid
CID 19421788
2-[3-(2-phenylpropan-2-yloxy)phenyl]acetic acid
CID 69488903
2-(3-octoxyphenyl)acetic acid
CID 11975056
2-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]phenyl]acetic acid
CID 164513589
[3-(C-chloro-N-hydroxycarbonimidoyl)phenyl] N-ethylcarbamate
CID 88546041

Frequently Asked Questions

What is the IUPAC name of 2-[3-(ethylcarbamoyloxy)phenyl]acetic acid?
The IUPAC name of 2-[3-(ethylcarbamoyloxy)phenyl]acetic acid (CID 144799433) is 2-[3-(ethylcarbamoyloxy)phenyl]acetic acid.
What is the SMILES notation for 2-[3-(ethylcarbamoyloxy)phenyl]acetic acid?
The canonical SMILES for 2-[3-(ethylcarbamoyloxy)phenyl]acetic acid is CCNC(=O)Oc1cccc(CC(=O)O)c1.
What is the InChIKey of 2-[3-(ethylcarbamoyloxy)phenyl]acetic acid?
The InChIKey is ISSXFKBWPWAASI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO4/c1-2-12-11(15)16-9-5-3-4-8(6-9)7-10(13)14/h3-6H,2,7H2,1H3,(H,12,15)(H,13,14).
What are the key properties of 2-[3-(ethylcarbamoyloxy)phenyl]acetic acid?
2-[3-(ethylcarbamoyloxy)phenyl]acetic acid has a molecular weight of 223.23 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(ethylcarbamoyloxy)phenyl]acetic acid is sourced from PubChem (CID 144799433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).