2-formamido-3-naphthalen-1-ylpropanoic acid

C14H13NO3 — CID 23093218

IUPAC2-formamido-3-naphthalen-1-ylpropanoic acid
SMILESO=CNC(Cc1cccc2ccccc12)C(=O)O
InChIInChI=1S/C14H13NO3/c16-9-15-13(14(17)18)8-11-6-3-5-10-4-1-2-7-12(10)11/h1-7,9,13H,8H2,(H,15,16)(H,17,18)
InChIKeyIXILGLCMCPFPHV-UHFFFAOYSA-N
MW243.26 g/mol
LogP1.58
Rot. Bonds5

About 2-formamido-3-naphthalen-1-ylpropanoic acid

2-formamido-3-naphthalen-1-ylpropanoic acid (PubChem CID 23093218) has the molecular formula C14H13NO3 and a molecular weight of 243.26 g/mol. Its IUPAC name is 2-formamido-3-naphthalen-1-ylpropanoic acid.

Molecular Properties

Compound Name2-formamido-3-naphthalen-1-ylpropanoic acid
PubChem CID23093218
Molecular FormulaC14H13NO3
Molecular Weight243.26 g/mol
Exact Mass243.09
IUPAC Name2-formamido-3-naphthalen-1-ylpropanoic acid
SMILESO=CNC(Cc1cccc2ccccc12)C(=O)O
InChIInChI=1S/C14H13NO3/c16-9-15-13(14(17)18)8-11-6-3-5-10-4-1-2-7-12(10)11/h1-7,9,13H,8H2,(H,15,16)(H,17,18)
InChIKeyIXILGLCMCPFPHV-UHFFFAOYSA-N
XLogP1.58
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 51.58
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

(2S)-3-naphthalen-1-yl-2-(naphthalen-1-ylmethylamino)propanoic acid
CID 18728959
(2S)-2-[[(E)-hex-3-enoyl]amino]-3-naphthalen-1-ylpropanoic acid
CID 68734078
(2S)-2-(6-hydroxyhexanoylamino)-3-naphthalen-1-ylpropanoic acid
CID 68734772
2-formamido-2-naphthalen-1-ylacetic acid
CID 63689501
2-(hexadecanoylamino)-3-naphthalen-1-ylpropanoic acid
CID 23093240
(2S)-3-naphthalen-1-yl-2-(propylsulfonylamino)propanoic acid
CID 67206691
(2R)-2-(hydroxymethyl)-3-naphthalen-1-ylpropanoic acid
CID 10466391
2-formamido-3-phenylpropanoic acid;pyrazine
CID 174670017
(2R)-2-(methylamino)-1-naphthalen-1-ylpentan-3-one
CID 142921923
2-[(2-aminoacetyl)amino]-N-(formamidomethyl)-3-naphthalen-1-ylpropanamide
CID 143400351
CID 59117847
CID 59117847
2-methyl-3-naphthalen-1-yl-N-(2-phenylmethoxyethyl)propanamide
CID 133202094

Frequently Asked Questions

What is the IUPAC name of 2-formamido-3-naphthalen-1-ylpropanoic acid?
The IUPAC name of 2-formamido-3-naphthalen-1-ylpropanoic acid (CID 23093218) is 2-formamido-3-naphthalen-1-ylpropanoic acid.
What is the SMILES notation for 2-formamido-3-naphthalen-1-ylpropanoic acid?
The canonical SMILES for 2-formamido-3-naphthalen-1-ylpropanoic acid is O=CNC(Cc1cccc2ccccc12)C(=O)O.
What is the InChIKey of 2-formamido-3-naphthalen-1-ylpropanoic acid?
The InChIKey is IXILGLCMCPFPHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3/c16-9-15-13(14(17)18)8-11-6-3-5-10-4-1-2-7-12(10)11/h1-7,9,13H,8H2,(H,15,16)(H,17,18).
What are the key properties of 2-formamido-3-naphthalen-1-ylpropanoic acid?
2-formamido-3-naphthalen-1-ylpropanoic acid has a molecular weight of 243.26 g/mol, XLogP of 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-formamido-3-naphthalen-1-ylpropanoic acid is sourced from PubChem (CID 23093218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).