2-[methyl(3-naphthalen-1-ylpropyl)amino]propanoic acid;hydrochloride

C17H22ClNO2 — CID 119913312

IUPAC2-[methyl(3-naphthalen-1-ylpropyl)amino]propanoic acid;hydrochloride
SMILESCC(C(=O)O)N(C)CCCc1cccc2ccccc12.Cl
InChIInChI=1S/C17H21NO2.ClH/c1-13(17(19)20)18(2)12-6-10-15-9-5-8-14-7-3-4-11-16(14)15;/h3-5,7-9,11,13H,6,10,12H2,1-2H3,(H,19,20);1H
InChIKeyOTMVQJCJMLYJLH-UHFFFAOYSA-N
MW307.82 g/mol
LogP3.60
Rot. Bonds6

About 2-[methyl(3-naphthalen-1-ylpropyl)amino]propanoic acid;hydrochloride

2-[methyl(3-naphthalen-1-ylpropyl)amino]propanoic acid;hydrochloride (PubChem CID 119913312) has the molecular formula C17H22ClNO2 and a molecular weight of 307.82 g/mol. Its IUPAC name is 2-[methyl(3-naphthalen-1-ylpropyl)amino]propanoic acid;hydrochloride.

Molecular Properties

Compound Name2-[methyl(3-naphthalen-1-ylpropyl)amino]propanoic acid;hydrochloride
PubChem CID119913312
Molecular FormulaC17H22ClNO2
Molecular Weight307.82 g/mol
Exact Mass307.13
IUPAC Name2-[methyl(3-naphthalen-1-ylpropyl)amino]propanoic acid;hydrochloride
SMILESCC(C(=O)O)N(C)CCCc1cccc2ccccc12.Cl
InChIInChI=1S/C17H21NO2.ClH/c1-13(17(19)20)18(2)12-6-10-15-9-5-8-14-7-3-4-11-16(14)15;/h3-5,7-9,11,13H,6,10,12H2,1-2H3,(H,19,20);1H
InChIKeyOTMVQJCJMLYJLH-UHFFFAOYSA-N
XLogP3.60
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.82
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[methyl(3-naphthalen-1-ylpropyl)amino]propanoic acid;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-[methyl(naphthalen-1-ylmethyl)amino]propanoic acid
CID 94522375
2-methyl-3-[methyl(2-naphthalen-1-ylethyl)amino]-3-oxopropanoic acid
CID 122099616
2-[methyl(2-naphthalen-1-yloxyethyl)amino]propanoic acid;hydrochloride
CID 119912986
N-methyl-N-(2-naphthalen-1-ylethyl)propan-2-amine
CID 117044251
2-[methyl-[3-naphthalen-1-yl-2-(naphthalen-1-ylmethyl)propanoyl]amino]propanoic acid
CID 67597873
N,N-dimethyl-16-naphthalen-1-ylhexadecan-1-amine;hydrochloride
CID 174059419
(2R)-2-amino-N-methyl-N-(2-naphthalen-1-ylethyl)propanamide
CID 119309086
2-[methyl-[(2-methylphenyl)methyl]amino]propanoic acid
CID 61412127
2-[methyl-[2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-2-oxoethyl]amino]propanoic acid
CID 119912970
2-[methyl-[3-(2-phenylethoxy)propyl]amino]propanoic acid;hydrochloride
CID 119912610
3-amino-N-methyl-N-(2-naphthalen-1-ylethyl)butanamide
CID 119758698
(2R)-N-methyl-N-(2-naphthalen-1-ylethyl)-2-propan-2-ylsulfonylpropanamide
CID 94821471

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(3-naphthalen-1-ylpropyl)amino]propanoic acid;hydrochloride?
The IUPAC name of 2-[methyl(3-naphthalen-1-ylpropyl)amino]propanoic acid;hydrochloride (CID 119913312) is 2-[methyl(3-naphthalen-1-ylpropyl)amino]propanoic acid;hydrochloride.
What is the SMILES notation for 2-[methyl(3-naphthalen-1-ylpropyl)amino]propanoic acid;hydrochloride?
The canonical SMILES for 2-[methyl(3-naphthalen-1-ylpropyl)amino]propanoic acid;hydrochloride is CC(C(=O)O)N(C)CCCc1cccc2ccccc12.Cl.
What is the InChIKey of 2-[methyl(3-naphthalen-1-ylpropyl)amino]propanoic acid;hydrochloride?
The InChIKey is OTMVQJCJMLYJLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2.ClH/c1-13(17(19)20)18(2)12-6-10-15-9-5-8-14-7-3-4-11-16(14)15;/h3-5,7-9,11,13H,6,10,12H2,1-2H3,(H,19,20);1H.
What are the key properties of 2-[methyl(3-naphthalen-1-ylpropyl)amino]propanoic acid;hydrochloride?
2-[methyl(3-naphthalen-1-ylpropyl)amino]propanoic acid;hydrochloride has a molecular weight of 307.82 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(3-naphthalen-1-ylpropyl)amino]propanoic acid;hydrochloride is sourced from PubChem (CID 119913312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).