methyl (2R)-2-amino-2-(3,4-diphenoxyphenyl)acetate;hydrochloride

C21H20ClNO4 — CID 171217992

IUPACmethyl (2R)-2-amino-2-(3,4-diphenoxyphenyl)acetate;hydrochloride
SMILESCOC(=O)[C@H](N)c1ccc(Oc2ccccc2)c(Oc2ccccc2)c1.Cl
InChIInChI=1S/C21H19NO4.ClH/c1-24-21(23)20(22)15-12-13-18(25-16-8-4-2-5-9-16)19(14-15)26-17-10-6-3-7-11-17;/h2-14,20H,22H2,1H3;1H/t20-;/m1./s1
InChIKeyHEHWDTIQTOQLOQ-VEIFNGETSA-N
MW385.85 g/mol
LogP4.87
Rot. Bonds6

About methyl (2R)-2-amino-2-(3,4-diphenoxyphenyl)acetate;hydrochloride

methyl (2R)-2-amino-2-(3,4-diphenoxyphenyl)acetate;hydrochloride (PubChem CID 171217992) has the molecular formula C21H20ClNO4 and a molecular weight of 385.85 g/mol. Its IUPAC name is methyl (2R)-2-amino-2-(3,4-diphenoxyphenyl)acetate;hydrochloride.

Molecular Properties

Compound Namemethyl (2R)-2-amino-2-(3,4-diphenoxyphenyl)acetate;hydrochloride
PubChem CID171217992
Molecular FormulaC21H20ClNO4
Molecular Weight385.85 g/mol
Exact Mass385.11
IUPAC Namemethyl (2R)-2-amino-2-(3,4-diphenoxyphenyl)acetate;hydrochloride
SMILESCOC(=O)[C@H](N)c1ccc(Oc2ccccc2)c(Oc2ccccc2)c1.Cl
InChIInChI=1S/C21H19NO4.ClH/c1-24-21(23)20(22)15-12-13-18(25-16-8-4-2-5-9-16)19(14-15)26-17-10-6-3-7-11-17;/h2-14,20H,22H2,1H3;1H/t20-;/m1./s1
InChIKeyHEHWDTIQTOQLOQ-VEIFNGETSA-N
XLogP4.87
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.85
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl (3S)-3-amino-3-(3,4-diphenoxyphenyl)propanoate
CID 171238957
methyl (2R)-2-amino-2-(3-methoxyphenyl)acetate;hydrochloride
CID 171219744
(1S)-1-(3,4-diphenoxyphenyl)propan-1-amine
CID 171217949
methyl (2R)-2-amino-2-(3-phenylphenyl)acetate;hydrochloride
CID 171234245
methyl (2R)-2-amino-2-(4-methoxy-3-methylphenyl)acetate;hydrochloride
CID 171233347
(1R)-1-(3,4-diphenoxyphenyl)-3-methylbutan-1-amine;hydrochloride
CID 171198444
(4R)-4-amino-4-(3,4-diphenoxyphenyl)butan-1-ol;hydrochloride
CID 171198482
(1S)-1-(3,4-diphenoxyphenyl)-3-methylbutan-1-amine;hydrochloride
CID 171217962
(1R)-1-(3,4-diphenoxyphenyl)-2-fluoroethanamine
CID 171217937
(3R)-3-amino-3-(3,4-diphenoxyphenyl)propan-1-ol
CID 171198479
acetyl chloride;methyl (2R)-2-amino-2-phenylacetate;hydrochloride
CID 161383135
methyl (2R)-2-amino-2-(3-chloro-4-methoxyphenyl)acetate
CID 7278759

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-amino-2-(3,4-diphenoxyphenyl)acetate;hydrochloride?
The IUPAC name of methyl (2R)-2-amino-2-(3,4-diphenoxyphenyl)acetate;hydrochloride (CID 171217992) is methyl (2R)-2-amino-2-(3,4-diphenoxyphenyl)acetate;hydrochloride.
What is the SMILES notation for methyl (2R)-2-amino-2-(3,4-diphenoxyphenyl)acetate;hydrochloride?
The canonical SMILES for methyl (2R)-2-amino-2-(3,4-diphenoxyphenyl)acetate;hydrochloride is COC(=O)[C@H](N)c1ccc(Oc2ccccc2)c(Oc2ccccc2)c1.Cl.
What is the InChIKey of methyl (2R)-2-amino-2-(3,4-diphenoxyphenyl)acetate;hydrochloride?
The InChIKey is HEHWDTIQTOQLOQ-VEIFNGETSA-N. The full InChI is InChI=1S/C21H19NO4.ClH/c1-24-21(23)20(22)15-12-13-18(25-16-8-4-2-5-9-16)19(14-15)26-17-10-6-3-7-11-17;/h2-14,20H,22H2,1H3;1H/t20-;/m1./s1.
What are the key properties of methyl (2R)-2-amino-2-(3,4-diphenoxyphenyl)acetate;hydrochloride?
methyl (2R)-2-amino-2-(3,4-diphenoxyphenyl)acetate;hydrochloride has a molecular weight of 385.85 g/mol, XLogP of 4.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-amino-2-(3,4-diphenoxyphenyl)acetate;hydrochloride is sourced from PubChem (CID 171217992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).