2-[(2-oxo-2-phenylmethoxyacetyl)amino]acetic acid

C11H11NO5 — CID 22928363

IUPAC2-[(2-oxo-2-phenylmethoxyacetyl)amino]acetic acid
SMILESO=C(O)CNC(=O)C(=O)OCc1ccccc1
InChIInChI=1S/C11H11NO5/c13-9(14)6-12-10(15)11(16)17-7-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,12,15)(H,13,14)
InChIKeyCVRGLSNUBFHEQZ-UHFFFAOYSA-N
MW237.21 g/mol
LogP-0.07
Rot. Bonds4

About 2-[(2-oxo-2-phenylmethoxyacetyl)amino]acetic acid

2-[(2-oxo-2-phenylmethoxyacetyl)amino]acetic acid (PubChem CID 22928363) has the molecular formula C11H11NO5 and a molecular weight of 237.21 g/mol. Its IUPAC name is 2-[(2-oxo-2-phenylmethoxyacetyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2-oxo-2-phenylmethoxyacetyl)amino]acetic acid
PubChem CID22928363
Molecular FormulaC11H11NO5
Molecular Weight237.21 g/mol
Exact Mass237.06
IUPAC Name2-[(2-oxo-2-phenylmethoxyacetyl)amino]acetic acid
SMILESO=C(O)CNC(=O)C(=O)OCc1ccccc1
InChIInChI=1S/C11H11NO5/c13-9(14)6-12-10(15)11(16)17-7-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,12,15)(H,13,14)
InChIKeyCVRGLSNUBFHEQZ-UHFFFAOYSA-N
XLogP-0.07
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.21
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-[(3-oxo-3-phenylmethoxypropanoyl)amino]acetic acid
CID 69081504
acetamide;2-(phenylmethoxycarbonylamino)acetic acid
CID 142382396
2-[[4-oxo-4-[(2-oxo-2-phenylmethoxyethyl)amino]butanoyl]amino]acetic acid
CID 139916418
2-[(6-oxo-6-phenylmethoxyhexanoyl)amino]acetic acid
CID 121350347
2-[2-(phenylmethoxycarbonylamino)ethylamino]acetic acid
CID 10354829
benzyl 2-chloro-2-oxoacetate
CID 11019858
2-oxo-2-phenylmethoxyethaneperoxoic acid
CID 88728266
(E)-2-methyl-3-[(2-oxo-2-phenylmethoxyacetyl)amino]but-2-enoic acid
CID 134479356
benzyl 2-(2-methylbutan-2-ylamino)-2-oxoacetate
CID 156544549
benzyl N-(phenylmethoxycarbonylaminomethyl)carbamate
CID 13001569
benzyl N-[7-(phenylmethoxycarbonylamino)heptyl]carbamate
CID 562919
benzyl N-(2-amino-2-oxoethyl)carbamate
CID 69459510

Frequently Asked Questions

What is the IUPAC name of 2-[(2-oxo-2-phenylmethoxyacetyl)amino]acetic acid?
The IUPAC name of 2-[(2-oxo-2-phenylmethoxyacetyl)amino]acetic acid (CID 22928363) is 2-[(2-oxo-2-phenylmethoxyacetyl)amino]acetic acid.
What is the SMILES notation for 2-[(2-oxo-2-phenylmethoxyacetyl)amino]acetic acid?
The canonical SMILES for 2-[(2-oxo-2-phenylmethoxyacetyl)amino]acetic acid is O=C(O)CNC(=O)C(=O)OCc1ccccc1.
What is the InChIKey of 2-[(2-oxo-2-phenylmethoxyacetyl)amino]acetic acid?
The InChIKey is CVRGLSNUBFHEQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO5/c13-9(14)6-12-10(15)11(16)17-7-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,12,15)(H,13,14).
What are the key properties of 2-[(2-oxo-2-phenylmethoxyacetyl)amino]acetic acid?
2-[(2-oxo-2-phenylmethoxyacetyl)amino]acetic acid has a molecular weight of 237.21 g/mol, XLogP of -0.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-oxo-2-phenylmethoxyacetyl)amino]acetic acid is sourced from PubChem (CID 22928363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).