methyl (2R)-2-amino-2-(3-methoxyphenyl)acetate;hydrochloride

C10H14ClNO3 — CID 171219744

IUPACmethyl (2R)-2-amino-2-(3-methoxyphenyl)acetate;hydrochloride
SMILESCOC(=O)[C@H](N)c1cccc(OC)c1.Cl
InChIInChI=1S/C10H13NO3.ClH/c1-13-8-5-3-4-7(6-8)9(11)10(12)14-2;/h3-6,9H,11H2,1-2H3;1H/t9-;/m1./s1
InChIKeyLZHGTOZAFSEFFO-SBSPUUFOSA-N
MW231.68 g/mol
LogP1.29
Rot. Bonds3

About methyl (2R)-2-amino-2-(3-methoxyphenyl)acetate;hydrochloride

methyl (2R)-2-amino-2-(3-methoxyphenyl)acetate;hydrochloride (PubChem CID 171219744) has the molecular formula C10H14ClNO3 and a molecular weight of 231.68 g/mol. Its IUPAC name is methyl (2R)-2-amino-2-(3-methoxyphenyl)acetate;hydrochloride.

Molecular Properties

Compound Namemethyl (2R)-2-amino-2-(3-methoxyphenyl)acetate;hydrochloride
PubChem CID171219744
Molecular FormulaC10H14ClNO3
Molecular Weight231.68 g/mol
Exact Mass231.07
IUPAC Namemethyl (2R)-2-amino-2-(3-methoxyphenyl)acetate;hydrochloride
SMILESCOC(=O)[C@H](N)c1cccc(OC)c1.Cl
InChIInChI=1S/C10H13NO3.ClH/c1-13-8-5-3-4-7(6-8)9(11)10(12)14-2;/h3-6,9H,11H2,1-2H3;1H/t9-;/m1./s1
InChIKeyLZHGTOZAFSEFFO-SBSPUUFOSA-N
XLogP1.29
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.68
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2S)-2-amino-2-(3-ethoxyphenyl)acetate;hydrochloride
CID 171205678
2-amino-2-(3-methoxyphenyl)-N',N'-dimethylacetohydrazide
CID 116849865
methyl 2-amino-2-(3-ethoxyphenyl)acetate
CID 60874468
methyl 2-amino-2-(3-methylphenyl)acetate;hydrochloride
CID 50944342
methyl (2R)-2-amino-2-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]acetate;hydrochloride
CID 171228220
methyl 2-amino-2-(6-methoxynaphthalen-2-yl)acetate
CID 54022420
methyl (2R)-2-amino-2-(3-phenylphenyl)acetate;hydrochloride
CID 171234245
methyl 2-amino-2-(3-propan-2-ylphenyl)acetate
CID 20824071
methyl (2S)-2-amino-2-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]acetate
CID 171208633
1-(3-methoxyphenyl)ethanamine;hydrochloride
CID 19864848
methyl 3-[(1S)-1-amino-2-methoxy-2-oxoethyl]benzoate
CID 171213776
methyl 3-methoxy-2-(3-methoxyphenyl)propanoate
CID 117243532

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-amino-2-(3-methoxyphenyl)acetate;hydrochloride?
The IUPAC name of methyl (2R)-2-amino-2-(3-methoxyphenyl)acetate;hydrochloride (CID 171219744) is methyl (2R)-2-amino-2-(3-methoxyphenyl)acetate;hydrochloride.
What is the SMILES notation for methyl (2R)-2-amino-2-(3-methoxyphenyl)acetate;hydrochloride?
The canonical SMILES for methyl (2R)-2-amino-2-(3-methoxyphenyl)acetate;hydrochloride is COC(=O)[C@H](N)c1cccc(OC)c1.Cl.
What is the InChIKey of methyl (2R)-2-amino-2-(3-methoxyphenyl)acetate;hydrochloride?
The InChIKey is LZHGTOZAFSEFFO-SBSPUUFOSA-N. The full InChI is InChI=1S/C10H13NO3.ClH/c1-13-8-5-3-4-7(6-8)9(11)10(12)14-2;/h3-6,9H,11H2,1-2H3;1H/t9-;/m1./s1.
What are the key properties of methyl (2R)-2-amino-2-(3-methoxyphenyl)acetate;hydrochloride?
methyl (2R)-2-amino-2-(3-methoxyphenyl)acetate;hydrochloride has a molecular weight of 231.68 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-amino-2-(3-methoxyphenyl)acetate;hydrochloride is sourced from PubChem (CID 171219744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).