2-[methyl(2-naphthalen-1-yloxyethyl)amino]propanoic acid;hydrochloride

C16H20ClNO3 — CID 119912986

IUPAC2-[methyl(2-naphthalen-1-yloxyethyl)amino]propanoic acid;hydrochloride
SMILESCC(C(=O)O)N(C)CCOc1cccc2ccccc12.Cl
InChIInChI=1S/C16H19NO3.ClH/c1-12(16(18)19)17(2)10-11-20-15-9-5-7-13-6-3-4-8-14(13)15;/h3-9,12H,10-11H2,1-2H3,(H,18,19);1H
InChIKeyOXMLMFXCGRCDBF-UHFFFAOYSA-N
MW309.79 g/mol
LogP3.05
Rot. Bonds6

About 2-[methyl(2-naphthalen-1-yloxyethyl)amino]propanoic acid;hydrochloride

2-[methyl(2-naphthalen-1-yloxyethyl)amino]propanoic acid;hydrochloride (PubChem CID 119912986) has the molecular formula C16H20ClNO3 and a molecular weight of 309.79 g/mol. Its IUPAC name is 2-[methyl(2-naphthalen-1-yloxyethyl)amino]propanoic acid;hydrochloride.

Molecular Properties

Compound Name2-[methyl(2-naphthalen-1-yloxyethyl)amino]propanoic acid;hydrochloride
PubChem CID119912986
Molecular FormulaC16H20ClNO3
Molecular Weight309.79 g/mol
Exact Mass309.11
IUPAC Name2-[methyl(2-naphthalen-1-yloxyethyl)amino]propanoic acid;hydrochloride
SMILESCC(C(=O)O)N(C)CCOc1cccc2ccccc12.Cl
InChIInChI=1S/C16H19NO3.ClH/c1-12(16(18)19)17(2)10-11-20-15-9-5-7-13-6-3-4-8-14(13)15;/h3-9,12H,10-11H2,1-2H3,(H,18,19);1H
InChIKeyOXMLMFXCGRCDBF-UHFFFAOYSA-N
XLogP3.05
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.79
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl(3-naphthalen-1-ylpropyl)amino]propanoic acid;hydrochloride
CID 119913312
2-[methyl-[2-(4-propoxyphenoxy)ethyl]amino]propanoic acid;hydrochloride
CID 119913696
N-benzyl-N-methyl-3-naphthalen-1-yloxypropan-1-amine
CID 2182565
2-[2-(4-ethoxyphenoxy)ethyl-methylamino]propanoic acid;hydrochloride
CID 119912728
(2R)-2-[methyl(naphthalen-1-ylmethyl)amino]propanoic acid
CID 94522375
N,N-dimethyl-4-naphthalen-1-yloxybutanamide
CID 60769263
(2S)-2-(4-naphthalen-1-yloxybutanoylamino)propanoic acid
CID 119238607
N',N'-dimethyl-3-naphthalen-1-yloxypropanehydrazide
CID 116820813
2-methyl-5-naphthalen-1-yloxypentanamide
CID 142457720
2-[(2-butoxyphenyl)methyl-methylamino]propanoic acid
CID 122036759
(2S)-N-benzyl-2-[methyl-[2-(2-methylphenoxy)ethyl]amino]propanamide
CID 27123609
3-methyl-1-naphthalen-1-yloxybutan-2-one
CID 79395677

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(2-naphthalen-1-yloxyethyl)amino]propanoic acid;hydrochloride?
The IUPAC name of 2-[methyl(2-naphthalen-1-yloxyethyl)amino]propanoic acid;hydrochloride (CID 119912986) is 2-[methyl(2-naphthalen-1-yloxyethyl)amino]propanoic acid;hydrochloride.
What is the SMILES notation for 2-[methyl(2-naphthalen-1-yloxyethyl)amino]propanoic acid;hydrochloride?
The canonical SMILES for 2-[methyl(2-naphthalen-1-yloxyethyl)amino]propanoic acid;hydrochloride is CC(C(=O)O)N(C)CCOc1cccc2ccccc12.Cl.
What is the InChIKey of 2-[methyl(2-naphthalen-1-yloxyethyl)amino]propanoic acid;hydrochloride?
The InChIKey is OXMLMFXCGRCDBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3.ClH/c1-12(16(18)19)17(2)10-11-20-15-9-5-7-13-6-3-4-8-14(13)15;/h3-9,12H,10-11H2,1-2H3,(H,18,19);1H.
What are the key properties of 2-[methyl(2-naphthalen-1-yloxyethyl)amino]propanoic acid;hydrochloride?
2-[methyl(2-naphthalen-1-yloxyethyl)amino]propanoic acid;hydrochloride has a molecular weight of 309.79 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(2-naphthalen-1-yloxyethyl)amino]propanoic acid;hydrochloride is sourced from PubChem (CID 119912986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).