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

C16H19NO4 — CID 150194054

IUPAC3-methoxy-2-[methoxy(naphthalen-1-ylmethyl)amino]propanoic acid
SMILESCOCC(C(=O)O)N(Cc1cccc2ccccc12)OC
InChIInChI=1S/C16H19NO4/c1-20-11-15(16(18)19)17(21-2)10-13-8-5-7-12-6-3-4-9-14(12)13/h3-9,15H,10-11H2,1-2H3,(H,18,19)
InChIKeyFOBDAGJXOBWDBT-UHFFFAOYSA-N
MW289.33 g/mol
LogP2.30
Rot. Bonds7

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

3-methoxy-2-[methoxy(naphthalen-1-ylmethyl)amino]propanoic acid (PubChem CID 150194054) has the molecular formula C16H19NO4 and a molecular weight of 289.33 g/mol. Its IUPAC name is 3-methoxy-2-[methoxy(naphthalen-1-ylmethyl)amino]propanoic acid.

Molecular Properties

Compound Name3-methoxy-2-[methoxy(naphthalen-1-ylmethyl)amino]propanoic acid
PubChem CID150194054
Molecular FormulaC16H19NO4
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Name3-methoxy-2-[methoxy(naphthalen-1-ylmethyl)amino]propanoic acid
SMILESCOCC(C(=O)O)N(Cc1cccc2ccccc12)OC
InChIInChI=1S/C16H19NO4/c1-20-11-15(16(18)19)17(21-2)10-13-8-5-7-12-6-3-4-9-14(12)13/h3-9,15H,10-11H2,1-2H3,(H,18,19)
InChIKeyFOBDAGJXOBWDBT-UHFFFAOYSA-N
XLogP2.30
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-[methyl(naphthalen-1-ylmethyl)amino]propanoic acid
CID 94522375
2-[(2-fluorophenyl)methyl-methylamino]-3-methoxypropanoic acid
CID 103224583
3-methoxy-2-naphthalen-1-ylpropanoic acid
CID 84752957
2-amino-3-[methyl(naphthalen-1-ylmethyl)amino]propanoic acid
CID 115240804
2-(2-methylpropoxy)-3-naphthalen-1-ylpropanoic acid
CID 133245285
3-methoxy-2-(naphthalene-1-carbonylamino)propanoic acid
CID 70817249
(2S)-2-(naphthalen-1-ylmethoxy)propanoic acid
CID 104876043
2-[2-methoxyethyl(naphthalen-1-ylmethyl)amino]ethanol
CID 111103161
N-methyl-N-(naphthalen-1-ylmethyl)carbamoyl bromide
CID 115193849
1-methoxy-3-naphthalen-1-ylpropan-2-amine
CID 62603537
(2S)-2-[acetyl(ethenyl)amino]-3-naphthalen-1-ylpropanoic acid
CID 68732827
N-(2-chloro-3-methoxypropyl)-2-naphthalen-1-ylacetamide
CID 114298908

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-[methoxy(naphthalen-1-ylmethyl)amino]propanoic acid?
The IUPAC name of 3-methoxy-2-[methoxy(naphthalen-1-ylmethyl)amino]propanoic acid (CID 150194054) is 3-methoxy-2-[methoxy(naphthalen-1-ylmethyl)amino]propanoic acid.
What is the SMILES notation for 3-methoxy-2-[methoxy(naphthalen-1-ylmethyl)amino]propanoic acid?
The canonical SMILES for 3-methoxy-2-[methoxy(naphthalen-1-ylmethyl)amino]propanoic acid is COCC(C(=O)O)N(Cc1cccc2ccccc12)OC.
What is the InChIKey of 3-methoxy-2-[methoxy(naphthalen-1-ylmethyl)amino]propanoic acid?
The InChIKey is FOBDAGJXOBWDBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4/c1-20-11-15(16(18)19)17(21-2)10-13-8-5-7-12-6-3-4-9-14(12)13/h3-9,15H,10-11H2,1-2H3,(H,18,19).
What are the key properties of 3-methoxy-2-[methoxy(naphthalen-1-ylmethyl)amino]propanoic acid?
3-methoxy-2-[methoxy(naphthalen-1-ylmethyl)amino]propanoic acid has a molecular weight of 289.33 g/mol, XLogP of 2.30, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-[methoxy(naphthalen-1-ylmethyl)amino]propanoic acid is sourced from PubChem (CID 150194054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).