2-(2-phenylethoxycarbonylamino)oxyacetic acid

C11H13NO5 — CID 91667031

IUPAC2-(2-phenylethoxycarbonylamino)oxyacetic acid
SMILESO=C(O)CONC(=O)OCCc1ccccc1
InChIInChI=1S/C11H13NO5/c13-10(14)8-17-12-11(15)16-7-6-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,12,15)(H,13,14)
InChIKeyBZGQRCYITOMVFX-UHFFFAOYSA-N
MW239.23 g/mol
LogP0.97
Rot. Bonds6

About 2-(2-phenylethoxycarbonylamino)oxyacetic acid

2-(2-phenylethoxycarbonylamino)oxyacetic acid (PubChem CID 91667031) has the molecular formula C11H13NO5 and a molecular weight of 239.23 g/mol. Its IUPAC name is 2-(2-phenylethoxycarbonylamino)oxyacetic acid.

Molecular Properties

Compound Name2-(2-phenylethoxycarbonylamino)oxyacetic acid
PubChem CID91667031
Molecular FormulaC11H13NO5
Molecular Weight239.23 g/mol
Exact Mass239.08
IUPAC Name2-(2-phenylethoxycarbonylamino)oxyacetic acid
SMILESO=C(O)CONC(=O)OCCc1ccccc1
InChIInChI=1S/C11H13NO5/c13-10(14)8-17-12-11(15)16-7-6-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,12,15)(H,13,14)
InChIKeyBZGQRCYITOMVFX-UHFFFAOYSA-N
XLogP0.97
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-phenylethyl N-carbamoylcarbamate
CID 3027882
2-phenylethyl N-propan-2-ylcarbamate
CID 23548887
2-phenylethyl N-(4-phenylbutyl)carbamate
CID 23058488
benzyl N-[2-(4-bromophenyl)ethoxy]carbamate
CID 165437725
2-phenylethyl acetate
CID 7654
2-phenylethyl N-(4-sulfamoylphenyl)carbamate
CID 127525088
2-phenylethyl N-(oxetan-3-yl)carbamate
CID 141187105
acetic acid;2-phenylethyl acetate
CID 174791962
bis(2-phenylethyl) (2S,3S)-2,3-dihydroxybutanedioate
CID 70936130
2-phenylethyl N-(cyclopentylmethyl)carbamate
CID 57081280
(2R)-2-[2-(4-hydroxyphenyl)ethoxycarbonylamino]oxy-3-phenylpropanoic acid
CID 163240313
N,N-dimethylmethanamine;2-phenylethyl acetate
CID 67859846

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylethoxycarbonylamino)oxyacetic acid?
The IUPAC name of 2-(2-phenylethoxycarbonylamino)oxyacetic acid (CID 91667031) is 2-(2-phenylethoxycarbonylamino)oxyacetic acid.
What is the SMILES notation for 2-(2-phenylethoxycarbonylamino)oxyacetic acid?
The canonical SMILES for 2-(2-phenylethoxycarbonylamino)oxyacetic acid is O=C(O)CONC(=O)OCCc1ccccc1.
What is the InChIKey of 2-(2-phenylethoxycarbonylamino)oxyacetic acid?
The InChIKey is BZGQRCYITOMVFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO5/c13-10(14)8-17-12-11(15)16-7-6-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,12,15)(H,13,14).
What are the key properties of 2-(2-phenylethoxycarbonylamino)oxyacetic acid?
2-(2-phenylethoxycarbonylamino)oxyacetic acid has a molecular weight of 239.23 g/mol, XLogP of 0.97, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylethoxycarbonylamino)oxyacetic acid is sourced from PubChem (CID 91667031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).