methyl 3-amino-2,2-dimethyl-3-phenylpropanoate;hydrochloride

C12H18ClNO2 — CID 14426986

IUPACmethyl 3-amino-2,2-dimethyl-3-phenylpropanoate;hydrochloride
SMILESCOC(=O)C(C)(C)C(N)c1ccccc1.Cl
InChIInChI=1S/C12H17NO2.ClH/c1-12(2,11(14)15-3)10(13)9-7-5-4-6-8-9;/h4-8,10H,13H2,1-3H3;1H
InChIKeyWZSIDDCDYAZFDD-UHFFFAOYSA-N
MW243.73 g/mol
LogP2.31
Rot. Bonds3

About methyl 3-amino-2,2-dimethyl-3-phenylpropanoate;hydrochloride

methyl 3-amino-2,2-dimethyl-3-phenylpropanoate;hydrochloride (PubChem CID 14426986) has the molecular formula C12H18ClNO2 and a molecular weight of 243.73 g/mol. Its IUPAC name is methyl 3-amino-2,2-dimethyl-3-phenylpropanoate;hydrochloride.

Molecular Properties

Compound Namemethyl 3-amino-2,2-dimethyl-3-phenylpropanoate;hydrochloride
PubChem CID14426986
Molecular FormulaC12H18ClNO2
Molecular Weight243.73 g/mol
Exact Mass243.10
IUPAC Namemethyl 3-amino-2,2-dimethyl-3-phenylpropanoate;hydrochloride
SMILESCOC(=O)C(C)(C)C(N)c1ccccc1.Cl
InChIInChI=1S/C12H17NO2.ClH/c1-12(2,11(14)15-3)10(13)9-7-5-4-6-8-9;/h4-8,10H,13H2,1-3H3;1H
InChIKeyWZSIDDCDYAZFDD-UHFFFAOYSA-N
XLogP2.31
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.73
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (3S)-3-amino-2,2-dimethyl-3-(4-phenoxyphenyl)propanoate;hydrochloride
CID 171249298
methyl (3R)-3-amino-2,2-dimethyl-3-(3-phenylphenyl)propanoate;hydrochloride
CID 171244491
methyl (3R)-3-amino-3-[4-(benzylamino)phenyl]-2,2-dimethylpropanoate;hydrochloride
CID 171240144
methyl (3R)-3-amino-2,2-dimethyl-3-(4-phenylmethoxyphenyl)propanoate;hydrochloride
CID 171243427
methyl 4-[(1R)-1-amino-3-methoxy-2,2-dimethyl-3-oxopropyl]benzoate;hydrochloride
CID 171243855
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 (3S)-3-amino-3-(4-cyanophenyl)-2,2-dimethylpropanoate
CID 171245582
methyl (3S)-3-amino-3-(2,6-dimethylphenyl)-2,2-dimethylpropanoate;hydrochloride
CID 171247825
methyl (3S)-3-amino-3-(3,5-dimethyl-4-phenylmethoxyphenyl)-2,2-dimethylpropanoate;hydrochloride
CID 171251160
methyl 3-amino-3-(4-ethylsulfanylphenyl)-2,2-dimethylpropanoate
CID 116940309

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-2,2-dimethyl-3-phenylpropanoate;hydrochloride?
The IUPAC name of methyl 3-amino-2,2-dimethyl-3-phenylpropanoate;hydrochloride (CID 14426986) is methyl 3-amino-2,2-dimethyl-3-phenylpropanoate;hydrochloride.
What is the SMILES notation for methyl 3-amino-2,2-dimethyl-3-phenylpropanoate;hydrochloride?
The canonical SMILES for methyl 3-amino-2,2-dimethyl-3-phenylpropanoate;hydrochloride is COC(=O)C(C)(C)C(N)c1ccccc1.Cl.
What is the InChIKey of methyl 3-amino-2,2-dimethyl-3-phenylpropanoate;hydrochloride?
The InChIKey is WZSIDDCDYAZFDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2.ClH/c1-12(2,11(14)15-3)10(13)9-7-5-4-6-8-9;/h4-8,10H,13H2,1-3H3;1H.
What are the key properties of methyl 3-amino-2,2-dimethyl-3-phenylpropanoate;hydrochloride?
methyl 3-amino-2,2-dimethyl-3-phenylpropanoate;hydrochloride has a molecular weight of 243.73 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-2,2-dimethyl-3-phenylpropanoate;hydrochloride is sourced from PubChem (CID 14426986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).