methyl (2R)-2-amino-3-methyl-2-(naphthalen-2-ylmethyl)butanoate

C17H21NO2 — CID 134918284

IUPACmethyl (2R)-2-amino-3-methyl-2-(naphthalen-2-ylmethyl)butanoate
SMILESCOC(=O)[C@@](N)(Cc1ccc2ccccc2c1)C(C)C
InChIInChI=1S/C17H21NO2/c1-12(2)17(18,16(19)20-3)11-13-8-9-14-6-4-5-7-15(14)10-13/h4-10,12H,11,18H2,1-3H3/t17-/m1/s1
InChIKeyDPSGITXVPOXWSF-QGZVFWFLSA-N
MW271.36 g/mol
LogP2.91
Rot. Bonds4

About methyl (2R)-2-amino-3-methyl-2-(naphthalen-2-ylmethyl)butanoate

methyl (2R)-2-amino-3-methyl-2-(naphthalen-2-ylmethyl)butanoate (PubChem CID 134918284) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is methyl (2R)-2-amino-3-methyl-2-(naphthalen-2-ylmethyl)butanoate.

Molecular Properties

Compound Namemethyl (2R)-2-amino-3-methyl-2-(naphthalen-2-ylmethyl)butanoate
PubChem CID134918284
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Namemethyl (2R)-2-amino-3-methyl-2-(naphthalen-2-ylmethyl)butanoate
SMILESCOC(=O)[C@@](N)(Cc1ccc2ccccc2c1)C(C)C
InChIInChI=1S/C17H21NO2/c1-12(2)17(18,16(19)20-3)11-13-8-9-14-6-4-5-7-15(14)10-13/h4-10,12H,11,18H2,1-3H3/t17-/m1/s1
InChIKeyDPSGITXVPOXWSF-QGZVFWFLSA-N
XLogP2.91
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2R)-2-amino-4,4-dimethoxy-2-(naphthalen-2-ylmethyl)butanoate
CID 102217783
diethyl 2,2-bis(naphthalen-2-ylmethyl)propanedioate
CID 135347063
methyl (2S)-2-amino-2-benzyl-3,3-difluoropropanoate;hydrochloride
CID 66973368
methyl 2-(naphthalen-2-ylmethylamino)propanoate
CID 60691147
benzyl (2R)-2-amino-2-methyl-3-naphthalen-2-ylpropanoate
CID 164676045
2,3-dimethyl-1-naphthalen-2-ylbutan-2-ol
CID 57195699
methyl (2S)-3-naphthalen-2-yl-2-(propan-2-ylamino)propanoate
CID 126517010
methyl (2R)-2-amino-2-naphthalen-2-ylpropanoate
CID 90757177
methyl (2R,3S)-3-hydroxy-2-(naphthalen-2-ylmethylamino)butanoate
CID 129401896
methyl 2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-naphthalen-2-ylbutanoate
CID 140983223
methyl 3-amino-2-hydroxy-4-naphthalen-2-ylbutanoate
CID 154647583
methyl 2-hydroxy-3-methyl-2-(1-naphthalen-2-ylethyl)butanoate
CID 79304282

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-amino-3-methyl-2-(naphthalen-2-ylmethyl)butanoate?
The IUPAC name of methyl (2R)-2-amino-3-methyl-2-(naphthalen-2-ylmethyl)butanoate (CID 134918284) is methyl (2R)-2-amino-3-methyl-2-(naphthalen-2-ylmethyl)butanoate.
What is the SMILES notation for methyl (2R)-2-amino-3-methyl-2-(naphthalen-2-ylmethyl)butanoate?
The canonical SMILES for methyl (2R)-2-amino-3-methyl-2-(naphthalen-2-ylmethyl)butanoate is COC(=O)[C@@](N)(Cc1ccc2ccccc2c1)C(C)C.
What is the InChIKey of methyl (2R)-2-amino-3-methyl-2-(naphthalen-2-ylmethyl)butanoate?
The InChIKey is DPSGITXVPOXWSF-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H21NO2/c1-12(2)17(18,16(19)20-3)11-13-8-9-14-6-4-5-7-15(14)10-13/h4-10,12H,11,18H2,1-3H3/t17-/m1/s1.
What are the key properties of methyl (2R)-2-amino-3-methyl-2-(naphthalen-2-ylmethyl)butanoate?
methyl (2R)-2-amino-3-methyl-2-(naphthalen-2-ylmethyl)butanoate has a molecular weight of 271.36 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-amino-3-methyl-2-(naphthalen-2-ylmethyl)butanoate is sourced from PubChem (CID 134918284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).