methyl (2R)-2-amino-2-naphthalen-2-ylpropanoate

C14H15NO2 — CID 90757177

IUPACmethyl (2R)-2-amino-2-naphthalen-2-ylpropanoate
SMILESCOC(=O)[C@](C)(N)c1ccc2ccccc2c1
InChIInChI=1S/C14H15NO2/c1-14(15,13(16)17-2)12-8-7-10-5-3-4-6-11(10)9-12/h3-9H,15H2,1-2H3/t14-/m1/s1
InChIKeyOOQLTVKRXUFFFU-CQSZACIVSA-N
MW229.28 g/mol
LogP2.19
Rot. Bonds2

About methyl (2R)-2-amino-2-naphthalen-2-ylpropanoate

methyl (2R)-2-amino-2-naphthalen-2-ylpropanoate (PubChem CID 90757177) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is methyl (2R)-2-amino-2-naphthalen-2-ylpropanoate.

Molecular Properties

Compound Namemethyl (2R)-2-amino-2-naphthalen-2-ylpropanoate
PubChem CID90757177
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Namemethyl (2R)-2-amino-2-naphthalen-2-ylpropanoate
SMILESCOC(=O)[C@](C)(N)c1ccc2ccccc2c1
InChIInChI=1S/C14H15NO2/c1-14(15,13(16)17-2)12-8-7-10-5-3-4-6-11(10)9-12/h3-9H,15H2,1-2H3/t14-/m1/s1
InChIKeyOOQLTVKRXUFFFU-CQSZACIVSA-N
XLogP2.19
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2R)-2-amino-2-phenylpropanoate;hydrochloride
CID 141027321
(2R)-2-amino-2-anthracen-2-ylpropanoic acid
CID 100968375
methyl (2S)-2-amino-2-(3,4-dichlorophenyl)propanoate
CID 93311074
methyl (2R)-2-amino-2-(3,4-dichlorophenyl)propanoate
CID 93311073
2-amino-3-[(2-methylpropan-2-yl)oxy]-2-naphthalen-2-yl-3-oxopropanoic acid
CID 57348993
methyl 2-amino-2-(1-benzothiophen-2-yl)propanoate;hydrochloride
CID 66813077
2-fluoro-2-naphthalen-2-ylpropanamide
CID 91088349
(2R)-2-amino-N-benzyl-N-methyl-2-naphthalen-2-ylpropanamide
CID 22880268
methyl (2S)-2-amino-2-(2-oxo-1H-pyridin-4-yl)propanoate
CID 130704995
ethyl 2-(1-ethoxy-2-naphthalen-2-yl-1-oxopropan-2-yl)sulfanyl-2-naphthalen-2-ylpropanoate
CID 70225025
phenyl (2R)-2-amino-2-phenylpropanoate
CID 142678159
ethyl (2R)-3-fluoro-2-methyl-2-naphthalen-2-ylpropanoate
CID 155818749

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-amino-2-naphthalen-2-ylpropanoate?
The IUPAC name of methyl (2R)-2-amino-2-naphthalen-2-ylpropanoate (CID 90757177) is methyl (2R)-2-amino-2-naphthalen-2-ylpropanoate.
What is the SMILES notation for methyl (2R)-2-amino-2-naphthalen-2-ylpropanoate?
The canonical SMILES for methyl (2R)-2-amino-2-naphthalen-2-ylpropanoate is COC(=O)[C@](C)(N)c1ccc2ccccc2c1.
What is the InChIKey of methyl (2R)-2-amino-2-naphthalen-2-ylpropanoate?
The InChIKey is OOQLTVKRXUFFFU-CQSZACIVSA-N. The full InChI is InChI=1S/C14H15NO2/c1-14(15,13(16)17-2)12-8-7-10-5-3-4-6-11(10)9-12/h3-9H,15H2,1-2H3/t14-/m1/s1.
What are the key properties of methyl (2R)-2-amino-2-naphthalen-2-ylpropanoate?
methyl (2R)-2-amino-2-naphthalen-2-ylpropanoate has a molecular weight of 229.28 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-amino-2-naphthalen-2-ylpropanoate is sourced from PubChem (CID 90757177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).