2-(2-methoxy-4-nitroanilino)-2-phenylacetic acid

C15H14N2O5 — CID 70136769

IUPAC2-(2-methoxy-4-nitroanilino)-2-phenylacetic acid
SMILESCOc1cc([N+](=O)[O-])ccc1NC(C(=O)O)c1ccccc1
InChIInChI=1S/C15H14N2O5/c1-22-13-9-11(17(20)21)7-8-12(13)16-14(15(18)19)10-5-3-2-4-6-10/h2-9,14,16H,1H3,(H,18,19)
InChIKeyGWZWTCFNFVTLQF-UHFFFAOYSA-N
MW302.29 g/mol
LogP2.84
Rot. Bonds6

About 2-(2-methoxy-4-nitroanilino)-2-phenylacetic acid

2-(2-methoxy-4-nitroanilino)-2-phenylacetic acid (PubChem CID 70136769) has the molecular formula C15H14N2O5 and a molecular weight of 302.29 g/mol. Its IUPAC name is 2-(2-methoxy-4-nitroanilino)-2-phenylacetic acid.

Molecular Properties

Compound Name2-(2-methoxy-4-nitroanilino)-2-phenylacetic acid
PubChem CID70136769
Molecular FormulaC15H14N2O5
Molecular Weight302.29 g/mol
Exact Mass302.09
IUPAC Name2-(2-methoxy-4-nitroanilino)-2-phenylacetic acid
SMILESCOc1cc([N+](=O)[O-])ccc1NC(C(=O)O)c1ccccc1
InChIInChI=1S/C15H14N2O5/c1-22-13-9-11(17(20)21)7-8-12(13)16-14(15(18)19)10-5-3-2-4-6-10/h2-9,14,16H,1H3,(H,18,19)
InChIKeyGWZWTCFNFVTLQF-UHFFFAOYSA-N
XLogP2.84
TPSA101.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.29
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(4-fluoro-2-methoxyanilino)-2-phenylacetic acid
CID 103245512
methyl (2S)-2-[[2-(2-methoxy-4-nitroanilino)-2-oxoethyl]amino]-2-phenylacetate
CID 52527061
2,6-dimethoxy-N-(2-methoxy-4-nitrophenyl)benzamide
CID 4285710
N-benzhydryl-2-methoxy-5-nitroaniline
CID 2489016
1-(3,3-diphenylpropanoylamino)-3-(2-methoxy-4-nitrophenyl)thiourea
CID 3770997
(2R)-2-(3,5-dinitroanilino)-2-phenylacetic acid
CID 14025295
(2S)-2-[(2-methoxy-4-nitrophenyl)carbamoylamino]propanoic acid
CID 62881546
1-(2-methoxy-4-nitrophenyl)-3-(2-sulfanylphenyl)urea
CID 108886341
(2R)-2-(2,4-dinitroanilino)-N-methyl-2-phenylacetamide
CID 51984141
(2-methoxy-5-nitrophenyl) 2,2-diphenylacetate
CID 8908474
2-methoxy-4-nitro-N-(2-phenylethyl)aniline
CID 43425454
(2S)-N-(2-methoxy-5-nitrophenyl)-2-phenylpropanamide
CID 897896

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-4-nitroanilino)-2-phenylacetic acid?
The IUPAC name of 2-(2-methoxy-4-nitroanilino)-2-phenylacetic acid (CID 70136769) is 2-(2-methoxy-4-nitroanilino)-2-phenylacetic acid.
What is the SMILES notation for 2-(2-methoxy-4-nitroanilino)-2-phenylacetic acid?
The canonical SMILES for 2-(2-methoxy-4-nitroanilino)-2-phenylacetic acid is COc1cc([N+](=O)[O-])ccc1NC(C(=O)O)c1ccccc1.
What is the InChIKey of 2-(2-methoxy-4-nitroanilino)-2-phenylacetic acid?
The InChIKey is GWZWTCFNFVTLQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O5/c1-22-13-9-11(17(20)21)7-8-12(13)16-14(15(18)19)10-5-3-2-4-6-10/h2-9,14,16H,1H3,(H,18,19).
What are the key properties of 2-(2-methoxy-4-nitroanilino)-2-phenylacetic acid?
2-(2-methoxy-4-nitroanilino)-2-phenylacetic acid has a molecular weight of 302.29 g/mol, XLogP of 2.84, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-4-nitroanilino)-2-phenylacetic acid is sourced from PubChem (CID 70136769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).