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

C15H18N2O2 — CID 115240804

IUPAC2-amino-3-[methyl(naphthalen-1-ylmethyl)amino]propanoic acid
SMILESCN(Cc1cccc2ccccc12)CC(N)C(=O)O
InChIInChI=1S/C15H18N2O2/c1-17(10-14(16)15(18)19)9-12-7-4-6-11-5-2-3-8-13(11)12/h2-8,14H,9-10,16H2,1H3,(H,18,19)
InChIKeyMXPMLHRUIGGJOO-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.68
Rot. Bonds5

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

2-amino-3-[methyl(naphthalen-1-ylmethyl)amino]propanoic acid (PubChem CID 115240804) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-amino-3-[methyl(naphthalen-1-ylmethyl)amino]propanoic acid.

Molecular Properties

Compound Name2-amino-3-[methyl(naphthalen-1-ylmethyl)amino]propanoic acid
PubChem CID115240804
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name2-amino-3-[methyl(naphthalen-1-ylmethyl)amino]propanoic acid
SMILESCN(Cc1cccc2ccccc12)CC(N)C(=O)O
InChIInChI=1S/C15H18N2O2/c1-17(10-14(16)15(18)19)9-12-7-4-6-11-5-2-3-8-13(11)12/h2-8,14H,9-10,16H2,1H3,(H,18,19)
InChIKeyMXPMLHRUIGGJOO-UHFFFAOYSA-N
XLogP1.68
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-[methyl-[(1-methylindol-3-yl)methyl]amino]propanoic acid
CID 115240773
(2R)-2-[methyl(naphthalen-1-ylmethyl)amino]propanoic acid
CID 94522375
3-amino-4-naphthalen-1-ylbutan-2-one
CID 90132705
2-[[methyl(naphthalen-1-ylmethyl)amino]methyl]aniline
CID 43458604
(2R)-2-amino-N-methyl-4-methylsulfonyl-N-(naphthalen-1-ylmethyl)butanamide
CID 124596970
N-methyl-N-(naphthalen-1-ylmethyl)carbamoyl bromide
CID 115193849
N-methanidyl-N-methyl-1-naphthalen-1-ylmethanamine
CID 20723537
2-methyl-4-[methyl(naphthalen-1-ylmethyl)amino]butan-2-ol
CID 75423705
(2S)-2-amino-4-methylsulfanylbutanoic acid;(2S)-2-amino-3-naphthalen-1-ylpropanoic acid
CID 161034514
methyl (2S)-2-amino-3-naphthalen-1-ylpropanoate
CID 18714238
3-methoxy-2-[methoxy(naphthalen-1-ylmethyl)amino]propanoic acid
CID 150194054
N,5,5-trimethyl-N-(naphthalen-1-ylmethyl)hept-3-yn-1-amine
CID 10040062

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[methyl(naphthalen-1-ylmethyl)amino]propanoic acid?
The IUPAC name of 2-amino-3-[methyl(naphthalen-1-ylmethyl)amino]propanoic acid (CID 115240804) is 2-amino-3-[methyl(naphthalen-1-ylmethyl)amino]propanoic acid.
What is the SMILES notation for 2-amino-3-[methyl(naphthalen-1-ylmethyl)amino]propanoic acid?
The canonical SMILES for 2-amino-3-[methyl(naphthalen-1-ylmethyl)amino]propanoic acid is CN(Cc1cccc2ccccc12)CC(N)C(=O)O.
What is the InChIKey of 2-amino-3-[methyl(naphthalen-1-ylmethyl)amino]propanoic acid?
The InChIKey is MXPMLHRUIGGJOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-17(10-14(16)15(18)19)9-12-7-4-6-11-5-2-3-8-13(11)12/h2-8,14H,9-10,16H2,1H3,(H,18,19).
What are the key properties of 2-amino-3-[methyl(naphthalen-1-ylmethyl)amino]propanoic acid?
2-amino-3-[methyl(naphthalen-1-ylmethyl)amino]propanoic acid has a molecular weight of 258.32 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[methyl(naphthalen-1-ylmethyl)amino]propanoic acid is sourced from PubChem (CID 115240804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).