2-formamido-2-naphthalen-1-ylacetic acid

C13H11NO3 — CID 63689501

IUPAC2-formamido-2-naphthalen-1-ylacetic acid
SMILESO=CNC(C(=O)O)c1cccc2ccccc12
InChIInChI=1S/C13H11NO3/c15-8-14-12(13(16)17)11-7-3-5-9-4-1-2-6-10(9)11/h1-8,12H,(H,14,15)(H,16,17)
InChIKeyXBICKLQUCDZWJY-UHFFFAOYSA-N
MW229.24 g/mol
LogP1.71
Rot. Bonds4

About 2-formamido-2-naphthalen-1-ylacetic acid

2-formamido-2-naphthalen-1-ylacetic acid (PubChem CID 63689501) has the molecular formula C13H11NO3 and a molecular weight of 229.24 g/mol. Its IUPAC name is 2-formamido-2-naphthalen-1-ylacetic acid.

Molecular Properties

Compound Name2-formamido-2-naphthalen-1-ylacetic acid
PubChem CID63689501
Molecular FormulaC13H11NO3
Molecular Weight229.24 g/mol
Exact Mass229.07
IUPAC Name2-formamido-2-naphthalen-1-ylacetic acid
SMILESO=CNC(C(=O)O)c1cccc2ccccc12
InChIInChI=1S/C13H11NO3/c15-8-14-12(13(16)17)11-7-3-5-9-4-1-2-6-10(9)11/h1-8,12H,(H,14,15)(H,16,17)
InChIKeyXBICKLQUCDZWJY-UHFFFAOYSA-N
XLogP1.71
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(1R)-1-naphthalen-1-ylethyl]formamide
CID 87180924
2-(2-chloro-3-hydroxyphenyl)-2-formamidoacetic acid
CID 127019839
2-formamido-3-naphthalen-1-ylpropanoic acid
CID 23093218
2-[2-(dimethylamino)ethylamino]-2-naphthalen-1-ylacetic acid
CID 61001910
2-[(4-hydroxycyclohexyl)amino]-2-naphthalen-1-ylacetic acid
CID 84747241
(2S)-2-formamido-2-(1-oxo-2H-isoquinolin-3-yl)acetic acid
CID 87898509
2-[ethyl(formyl)amino]-2-naphthalen-1-ylacetic acid
CID 63688328
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-naphthalen-1-ylacetic acid
CID 51441106
ethane;2-naphthalen-1-ylpropanoic acid
CID 144663129
2-(methylamino)-2-naphthalen-1-ylacetamide
CID 60797146
(2R)-2-[[(1R)-1-naphthalen-1-ylethyl]carbamoylamino]-2-phenylacetic acid
CID 14671446
2-naphthalen-1-yl-2-[(2-phenylcyclobutanecarbonyl)amino]acetic acid
CID 166319656

Frequently Asked Questions

What is the IUPAC name of 2-formamido-2-naphthalen-1-ylacetic acid?
The IUPAC name of 2-formamido-2-naphthalen-1-ylacetic acid (CID 63689501) is 2-formamido-2-naphthalen-1-ylacetic acid.
What is the SMILES notation for 2-formamido-2-naphthalen-1-ylacetic acid?
The canonical SMILES for 2-formamido-2-naphthalen-1-ylacetic acid is O=CNC(C(=O)O)c1cccc2ccccc12.
What is the InChIKey of 2-formamido-2-naphthalen-1-ylacetic acid?
The InChIKey is XBICKLQUCDZWJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO3/c15-8-14-12(13(16)17)11-7-3-5-9-4-1-2-6-10(9)11/h1-8,12H,(H,14,15)(H,16,17).
What are the key properties of 2-formamido-2-naphthalen-1-ylacetic acid?
2-formamido-2-naphthalen-1-ylacetic acid has a molecular weight of 229.24 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-formamido-2-naphthalen-1-ylacetic acid is sourced from PubChem (CID 63689501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).