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

C15H17NO2 — CID 94522375

IUPAC(2R)-2-[methyl(naphthalen-1-ylmethyl)amino]propanoic acid
SMILESC[C@H](C(=O)O)N(C)Cc1cccc2ccccc12
InChIInChI=1S/C15H17NO2/c1-11(15(17)18)16(2)10-13-8-5-7-12-6-3-4-9-14(12)13/h3-9,11H,10H2,1-2H3,(H,17,18)/t11-/m1/s1
InChIKeySLULYOAJIBQCNB-LLVKDONJSA-N
MW243.31 g/mol
LogP2.74
Rot. Bonds4

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

(2R)-2-[methyl(naphthalen-1-ylmethyl)amino]propanoic acid (PubChem CID 94522375) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is (2R)-2-[methyl(naphthalen-1-ylmethyl)amino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[methyl(naphthalen-1-ylmethyl)amino]propanoic acid
PubChem CID94522375
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name(2R)-2-[methyl(naphthalen-1-ylmethyl)amino]propanoic acid
SMILESC[C@H](C(=O)O)N(C)Cc1cccc2ccccc12
InChIInChI=1S/C15H17NO2/c1-11(15(17)18)16(2)10-13-8-5-7-12-6-3-4-9-14(12)13/h3-9,11H,10H2,1-2H3,(H,17,18)/t11-/m1/s1
InChIKeySLULYOAJIBQCNB-LLVKDONJSA-N
XLogP2.74
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-hydroxyphenyl)methyl-methylamino]propanoic acid
CID 65060241
2-[methyl(3-naphthalen-1-ylpropyl)amino]propanoic acid;hydrochloride
CID 119913312
2-[methyl-[(2-methylphenyl)methyl]amino]propanoic acid
CID 61412127
2-[methyl-[3-naphthalen-1-yl-2-(naphthalen-1-ylmethyl)propanoyl]amino]propanoic acid
CID 67597873
2-[methyl-[[2-(2-methylphenyl)phenyl]methyl]amino]propanoic acid
CID 122036926
2-amino-3-[methyl(naphthalen-1-ylmethyl)amino]propanoic acid
CID 115240804
(2S)-2-[(2-ethoxyphenyl)methyl-methylamino]propanoic acid
CID 92930759
2-[methyl-[2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-2-oxoethyl]amino]propanoic acid
CID 119912970
2-[methyl(2-naphthalen-1-yloxyethyl)amino]propanoic acid;hydrochloride
CID 119912986
N-methyl-N-(naphthalen-1-ylmethyl)carbamoyl bromide
CID 115193849
2-[(2-butoxyphenyl)methyl-methylamino]propanoic acid
CID 122036759
2-methyl-3-[methyl(2-naphthalen-1-ylethyl)amino]-3-oxopropanoic acid
CID 122099616

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[methyl(naphthalen-1-ylmethyl)amino]propanoic acid?
The IUPAC name of (2R)-2-[methyl(naphthalen-1-ylmethyl)amino]propanoic acid (CID 94522375) is (2R)-2-[methyl(naphthalen-1-ylmethyl)amino]propanoic acid.
What is the SMILES notation for (2R)-2-[methyl(naphthalen-1-ylmethyl)amino]propanoic acid?
The canonical SMILES for (2R)-2-[methyl(naphthalen-1-ylmethyl)amino]propanoic acid is C[C@H](C(=O)O)N(C)Cc1cccc2ccccc12.
What is the InChIKey of (2R)-2-[methyl(naphthalen-1-ylmethyl)amino]propanoic acid?
The InChIKey is SLULYOAJIBQCNB-LLVKDONJSA-N. The full InChI is InChI=1S/C15H17NO2/c1-11(15(17)18)16(2)10-13-8-5-7-12-6-3-4-9-14(12)13/h3-9,11H,10H2,1-2H3,(H,17,18)/t11-/m1/s1.
What are the key properties of (2R)-2-[methyl(naphthalen-1-ylmethyl)amino]propanoic acid?
(2R)-2-[methyl(naphthalen-1-ylmethyl)amino]propanoic acid has a molecular weight of 243.31 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[methyl(naphthalen-1-ylmethyl)amino]propanoic acid is sourced from PubChem (CID 94522375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).