methyl (3R)-3-amino-2,2-dimethyl-3-(3-phenylphenyl)propanoate;hydrochloride

C18H22ClNO2 — CID 171244491

IUPACmethyl (3R)-3-amino-2,2-dimethyl-3-(3-phenylphenyl)propanoate;hydrochloride
SMILESCOC(=O)C(C)(C)[C@H](N)c1cccc(-c2ccccc2)c1.Cl
InChIInChI=1S/C18H21NO2.ClH/c1-18(2,17(20)21-3)16(19)15-11-7-10-14(12-15)13-8-5-4-6-9-13;/h4-12,16H,19H2,1-3H3;1H/t16-;/m1./s1
InChIKeyIFRLZBXMYWDUDV-PKLMIRHRSA-N
MW319.83 g/mol
LogP3.97
Rot. Bonds4

About methyl (3R)-3-amino-2,2-dimethyl-3-(3-phenylphenyl)propanoate;hydrochloride

methyl (3R)-3-amino-2,2-dimethyl-3-(3-phenylphenyl)propanoate;hydrochloride (PubChem CID 171244491) has the molecular formula C18H22ClNO2 and a molecular weight of 319.83 g/mol. Its IUPAC name is methyl (3R)-3-amino-2,2-dimethyl-3-(3-phenylphenyl)propanoate;hydrochloride.

Molecular Properties

Compound Namemethyl (3R)-3-amino-2,2-dimethyl-3-(3-phenylphenyl)propanoate;hydrochloride
PubChem CID171244491
Molecular FormulaC18H22ClNO2
Molecular Weight319.83 g/mol
Exact Mass319.13
IUPAC Namemethyl (3R)-3-amino-2,2-dimethyl-3-(3-phenylphenyl)propanoate;hydrochloride
SMILESCOC(=O)C(C)(C)[C@H](N)c1cccc(-c2ccccc2)c1.Cl
InChIInChI=1S/C18H21NO2.ClH/c1-18(2,17(20)21-3)16(19)15-11-7-10-14(12-15)13-8-5-4-6-9-13;/h4-12,16H,19H2,1-3H3;1H/t16-;/m1./s1
InChIKeyIFRLZBXMYWDUDV-PKLMIRHRSA-N
XLogP3.97
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.83
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-amino-2,2-dimethyl-3-phenylpropanoate;hydrochloride
CID 14426986
methyl (3S)-3-amino-3-(3-iodophenyl)-2,2-dimethylpropanoate;hydrochloride
CID 171249940
methyl 3-[(1S)-1-amino-3-methoxy-2,2-dimethyl-3-oxopropyl]benzoate;hydrochloride
CID 171250944
methyl (3R)-3-amino-3-(3-fluorophenyl)-2,2-dimethylpropanoate
CID 171239221
methyl (2R)-2-amino-2-(3-phenylphenyl)acetate;hydrochloride
CID 171234245
methyl (3S)-3-(3-acetyloxyphenyl)-3-amino-2,2-dimethylpropanoate
CID 171249651
methyl (3S)-3-amino-2,2-dimethyl-3-(4-phenoxyphenyl)propanoate;hydrochloride
CID 171249298
methyl (3R)-3-amino-3-[4-(benzylamino)phenyl]-2,2-dimethylpropanoate;hydrochloride
CID 171240144
methyl 3-amino-3-(3,4-dimethoxyphenyl)-2,2-dimethylpropanoate
CID 116940265
methyl 3-amino-3-(3,4-difluorophenyl)-2,2-dimethylpropanoate
CID 116940287
5-[(1R)-1-amino-3-methoxy-2,2-dimethyl-3-oxopropyl]-2-hydroxybenzoic acid
CID 171243556
methyl (3S)-3-amino-3-(2,6-dimethylphenyl)-2,2-dimethylpropanoate;hydrochloride
CID 171247825

Frequently Asked Questions

What is the IUPAC name of methyl (3R)-3-amino-2,2-dimethyl-3-(3-phenylphenyl)propanoate;hydrochloride?
The IUPAC name of methyl (3R)-3-amino-2,2-dimethyl-3-(3-phenylphenyl)propanoate;hydrochloride (CID 171244491) is methyl (3R)-3-amino-2,2-dimethyl-3-(3-phenylphenyl)propanoate;hydrochloride.
What is the SMILES notation for methyl (3R)-3-amino-2,2-dimethyl-3-(3-phenylphenyl)propanoate;hydrochloride?
The canonical SMILES for methyl (3R)-3-amino-2,2-dimethyl-3-(3-phenylphenyl)propanoate;hydrochloride is COC(=O)C(C)(C)[C@H](N)c1cccc(-c2ccccc2)c1.Cl.
What is the InChIKey of methyl (3R)-3-amino-2,2-dimethyl-3-(3-phenylphenyl)propanoate;hydrochloride?
The InChIKey is IFRLZBXMYWDUDV-PKLMIRHRSA-N. The full InChI is InChI=1S/C18H21NO2.ClH/c1-18(2,17(20)21-3)16(19)15-11-7-10-14(12-15)13-8-5-4-6-9-13;/h4-12,16H,19H2,1-3H3;1H/t16-;/m1./s1.
What are the key properties of methyl (3R)-3-amino-2,2-dimethyl-3-(3-phenylphenyl)propanoate;hydrochloride?
methyl (3R)-3-amino-2,2-dimethyl-3-(3-phenylphenyl)propanoate;hydrochloride has a molecular weight of 319.83 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-3-amino-2,2-dimethyl-3-(3-phenylphenyl)propanoate;hydrochloride is sourced from PubChem (CID 171244491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).