benzyl (2R)-2-amino-2-methyl-3-naphthalen-2-ylpropanoate

C21H21NO2 — CID 164676045

IUPACbenzyl (2R)-2-amino-2-methyl-3-naphthalen-2-ylpropanoate
SMILESC[C@@](N)(Cc1ccc2ccccc2c1)C(=O)OCc1ccccc1
InChIInChI=1S/C21H21NO2/c1-21(22,20(23)24-15-16-7-3-2-4-8-16)14-17-11-12-18-9-5-6-10-19(18)13-17/h2-13H,14-15,22H2,1H3/t21-/m1/s1
InChIKeyMHCCVXVKNWXGKK-OAQYLSRUSA-N
MW319.40 g/mol
LogP3.84
Rot. Bonds5

About benzyl (2R)-2-amino-2-methyl-3-naphthalen-2-ylpropanoate

benzyl (2R)-2-amino-2-methyl-3-naphthalen-2-ylpropanoate (PubChem CID 164676045) has the molecular formula C21H21NO2 and a molecular weight of 319.40 g/mol. Its IUPAC name is benzyl (2R)-2-amino-2-methyl-3-naphthalen-2-ylpropanoate.

Molecular Properties

Compound Namebenzyl (2R)-2-amino-2-methyl-3-naphthalen-2-ylpropanoate
PubChem CID164676045
Molecular FormulaC21H21NO2
Molecular Weight319.40 g/mol
Exact Mass319.16
IUPAC Namebenzyl (2R)-2-amino-2-methyl-3-naphthalen-2-ylpropanoate
SMILESC[C@@](N)(Cc1ccc2ccccc2c1)C(=O)OCc1ccccc1
InChIInChI=1S/C21H21NO2/c1-21(22,20(23)24-15-16-7-3-2-4-8-16)14-17-11-12-18-9-5-6-10-19(18)13-17/h2-13H,14-15,22H2,1H3/t21-/m1/s1
InChIKeyMHCCVXVKNWXGKK-OAQYLSRUSA-N
XLogP3.84
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl 2-amino-2-methylpentanoate
CID 61276990
benzyl (2S)-2-amino-2-methylbutanoate
CID 15660566
benzyl 2-amino-2-hydroxypropanoate
CID 67630480
1-O-(2-methylpropyl) 3-O-(naphthalen-2-ylmethyl) 2,2-dimethylpropanedioate
CID 91717272
diethyl 2,2-bis(naphthalen-2-ylmethyl)propanedioate
CID 135347063
(2S)-2-amino-2-methyl-3-(4-phenylmethoxyphenyl)propanoic acid
CID 14019806
(2S)-2-amino-3-(6-methoxynaphthalen-2-yl)-2-methylpropanoic acid
CID 165351752
1-O-benzyl 4-O-ethyl (2S)-2-amino-2-methylbutanedioate
CID 101047093
methyl (2R)-2-amino-3-methyl-2-(naphthalen-2-ylmethyl)butanoate
CID 134918284
benzyl 2,2-dimethyl-3-(3-phenylmethoxyphenyl)propanoate
CID 138549970
benzyl 2-amino-2-phenylpropanoate
CID 54322564
(4-phenylmethoxyphenyl)methyl 2,2-dimethylpropanoate
CID 70968645

Frequently Asked Questions

What is the IUPAC name of benzyl (2R)-2-amino-2-methyl-3-naphthalen-2-ylpropanoate?
The IUPAC name of benzyl (2R)-2-amino-2-methyl-3-naphthalen-2-ylpropanoate (CID 164676045) is benzyl (2R)-2-amino-2-methyl-3-naphthalen-2-ylpropanoate.
What is the SMILES notation for benzyl (2R)-2-amino-2-methyl-3-naphthalen-2-ylpropanoate?
The canonical SMILES for benzyl (2R)-2-amino-2-methyl-3-naphthalen-2-ylpropanoate is C[C@@](N)(Cc1ccc2ccccc2c1)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl (2R)-2-amino-2-methyl-3-naphthalen-2-ylpropanoate?
The InChIKey is MHCCVXVKNWXGKK-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H21NO2/c1-21(22,20(23)24-15-16-7-3-2-4-8-16)14-17-11-12-18-9-5-6-10-19(18)13-17/h2-13H,14-15,22H2,1H3/t21-/m1/s1.
What are the key properties of benzyl (2R)-2-amino-2-methyl-3-naphthalen-2-ylpropanoate?
benzyl (2R)-2-amino-2-methyl-3-naphthalen-2-ylpropanoate has a molecular weight of 319.40 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2R)-2-amino-2-methyl-3-naphthalen-2-ylpropanoate is sourced from PubChem (CID 164676045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).