2-formamido-2-methoxy-2-phenylacetic acid

C10H11NO4 — CID 57133630

IUPAC2-formamido-2-methoxy-2-phenylacetic acid
SMILESCOC(NC=O)(C(=O)O)c1ccccc1
InChIInChI=1S/C10H11NO4/c1-15-10(9(13)14,11-7-12)8-5-3-2-4-6-8/h2-7H,1H3,(H,11,12)(H,13,14)
InChIKeyUBWPQLSPHZNGHO-UHFFFAOYSA-N
MW209.20 g/mol
LogP0.32
Rot. Bonds5

About 2-formamido-2-methoxy-2-phenylacetic acid

2-formamido-2-methoxy-2-phenylacetic acid (PubChem CID 57133630) has the molecular formula C10H11NO4 and a molecular weight of 209.20 g/mol. Its IUPAC name is 2-formamido-2-methoxy-2-phenylacetic acid.

Molecular Properties

Compound Name2-formamido-2-methoxy-2-phenylacetic acid
PubChem CID57133630
Molecular FormulaC10H11NO4
Molecular Weight209.20 g/mol
Exact Mass209.07
IUPAC Name2-formamido-2-methoxy-2-phenylacetic acid
SMILESCOC(NC=O)(C(=O)O)c1ccccc1
InChIInChI=1S/C10H11NO4/c1-15-10(9(13)14,11-7-12)8-5-3-2-4-6-8/h2-7H,1H3,(H,11,12)(H,13,14)
InChIKeyUBWPQLSPHZNGHO-UHFFFAOYSA-N
XLogP0.32
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-formamido-2-phenylpropanoic acid
CID 86615567
methyl 3-methyl-4-oxo-3-phenylbutanoate
CID 131854689
3-formamido-2-hydroxy-3-[(2-methylpropan-2-yl)oxy]-3-phenylpropanoic acid
CID 91144023
2-aminoacetaldehyde;methyl 2-amino-2,2-diphenylacetate
CID 142147252
methyl 2,2-dibromo-2-phenylacetate
CID 59974916
(2R)-2-amino-3-methoxy-3-oxo-2-phenylpropanoic acid
CID 66823925
dimethyl 2-phenyl-2-propan-2-ylpropanedioate
CID 142728088
cyclopentanecarboxylic acid;2-formamido-2-phenylpropanoic acid
CID 161352808
2-formamido-3-(2-methoxyphenyl)-2-methylpropanoic acid
CID 63688568
2-(3-fluorophenyl)-2-formamidopropanoic acid
CID 63687632
tert-butylbenzene;methyl formate
CID 174802474
N-(1-cyano-1-phenylethyl)formamide
CID 174786305

Frequently Asked Questions

What is the IUPAC name of 2-formamido-2-methoxy-2-phenylacetic acid?
The IUPAC name of 2-formamido-2-methoxy-2-phenylacetic acid (CID 57133630) is 2-formamido-2-methoxy-2-phenylacetic acid.
What is the SMILES notation for 2-formamido-2-methoxy-2-phenylacetic acid?
The canonical SMILES for 2-formamido-2-methoxy-2-phenylacetic acid is COC(NC=O)(C(=O)O)c1ccccc1.
What is the InChIKey of 2-formamido-2-methoxy-2-phenylacetic acid?
The InChIKey is UBWPQLSPHZNGHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO4/c1-15-10(9(13)14,11-7-12)8-5-3-2-4-6-8/h2-7H,1H3,(H,11,12)(H,13,14).
What are the key properties of 2-formamido-2-methoxy-2-phenylacetic acid?
2-formamido-2-methoxy-2-phenylacetic acid has a molecular weight of 209.20 g/mol, XLogP of 0.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-formamido-2-methoxy-2-phenylacetic acid is sourced from PubChem (CID 57133630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).