2-methoxy-3-[(2-naphthalen-1-ylacetyl)amino]propanoic acid

C16H17NO4 — CID 106108050

IUPAC2-methoxy-3-[(2-naphthalen-1-ylacetyl)amino]propanoic acid
SMILESCOC(CNC(=O)Cc1cccc2ccccc12)C(=O)O
InChIInChI=1S/C16H17NO4/c1-21-14(16(19)20)10-17-15(18)9-12-7-4-6-11-5-2-3-8-13(11)12/h2-8,14H,9-10H2,1H3,(H,17,18)(H,19,20)
InChIKeyFRINSWBQLNXNIT-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.60
Rot. Bonds6

About 2-methoxy-3-[(2-naphthalen-1-ylacetyl)amino]propanoic acid

2-methoxy-3-[(2-naphthalen-1-ylacetyl)amino]propanoic acid (PubChem CID 106108050) has the molecular formula C16H17NO4 and a molecular weight of 287.32 g/mol. Its IUPAC name is 2-methoxy-3-[(2-naphthalen-1-ylacetyl)amino]propanoic acid.

Molecular Properties

Compound Name2-methoxy-3-[(2-naphthalen-1-ylacetyl)amino]propanoic acid
PubChem CID106108050
Molecular FormulaC16H17NO4
Molecular Weight287.32 g/mol
Exact Mass287.12
IUPAC Name2-methoxy-3-[(2-naphthalen-1-ylacetyl)amino]propanoic acid
SMILESCOC(CNC(=O)Cc1cccc2ccccc12)C(=O)O
InChIInChI=1S/C16H17NO4/c1-21-14(16(19)20)10-17-15(18)9-12-7-4-6-11-5-2-3-8-13(11)12/h2-8,14H,9-10H2,1H3,(H,17,18)(H,19,20)
InChIKeyFRINSWBQLNXNIT-UHFFFAOYSA-N
XLogP1.60
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,2-dimethoxyethyl)-2-naphthalen-1-ylacetamide
CID 60653057
N-(2-chloro-3-methoxypropyl)-2-naphthalen-1-ylacetamide
CID 114298908
3-methyl-4-[(2-naphthalen-1-ylacetyl)amino]butanoic acid
CID 81063161
N-[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]-2-naphthalen-1-ylacetamide
CID 99876133
N-[(2S)-2-(dimethylamino)-2-phenylethyl]-2-naphthalen-1-ylacetamide
CID 41318235
N-[2-[2-(methylamino)propylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide;hydrochloride
CID 120831392
(2S)-2-(ethylcarbamoyloxy)-3-naphthalen-1-ylpropanoic acid
CID 70357471
(2R)-2-[(2-naphthalen-1-ylacetyl)amino]propanoic acid
CID 2088738
3-(2,2-dimethoxyethylamino)-2-(naphthalen-1-ylmethyl)-3-oxopropanoic acid
CID 23049677
3-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-2-methoxypropanoic acid
CID 114144294
3-[(2-hydroxy-2-phenylacetyl)amino]-2-methoxypropanoic acid
CID 114144281
2-methoxy-3-[(2-phenylmethoxyacetyl)amino]propanoic acid
CID 106107823

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-[(2-naphthalen-1-ylacetyl)amino]propanoic acid?
The IUPAC name of 2-methoxy-3-[(2-naphthalen-1-ylacetyl)amino]propanoic acid (CID 106108050) is 2-methoxy-3-[(2-naphthalen-1-ylacetyl)amino]propanoic acid.
What is the SMILES notation for 2-methoxy-3-[(2-naphthalen-1-ylacetyl)amino]propanoic acid?
The canonical SMILES for 2-methoxy-3-[(2-naphthalen-1-ylacetyl)amino]propanoic acid is COC(CNC(=O)Cc1cccc2ccccc12)C(=O)O.
What is the InChIKey of 2-methoxy-3-[(2-naphthalen-1-ylacetyl)amino]propanoic acid?
The InChIKey is FRINSWBQLNXNIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4/c1-21-14(16(19)20)10-17-15(18)9-12-7-4-6-11-5-2-3-8-13(11)12/h2-8,14H,9-10H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 2-methoxy-3-[(2-naphthalen-1-ylacetyl)amino]propanoic acid?
2-methoxy-3-[(2-naphthalen-1-ylacetyl)amino]propanoic acid has a molecular weight of 287.32 g/mol, XLogP of 1.60, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-[(2-naphthalen-1-ylacetyl)amino]propanoic acid is sourced from PubChem (CID 106108050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).