methyl (2R)-2-amino-2-phenylpropanoate;hydrochloride

C10H14ClNO2 — CID 141027321

IUPACmethyl (2R)-2-amino-2-phenylpropanoate;hydrochloride
SMILESCOC(=O)[C@](C)(N)c1ccccc1.Cl
InChIInChI=1S/C10H13NO2.ClH/c1-10(11,9(12)13-2)8-6-4-3-5-7-8;/h3-7H,11H2,1-2H3;1H/t10-;/m1./s1
InChIKeyVBBAHSFGHQGGNJ-HNCPQSOCSA-N
MW215.68 g/mol
LogP1.46
Rot. Bonds2

About methyl (2R)-2-amino-2-phenylpropanoate;hydrochloride

methyl (2R)-2-amino-2-phenylpropanoate;hydrochloride (PubChem CID 141027321) has the molecular formula C10H14ClNO2 and a molecular weight of 215.68 g/mol. Its IUPAC name is methyl (2R)-2-amino-2-phenylpropanoate;hydrochloride.

Molecular Properties

Compound Namemethyl (2R)-2-amino-2-phenylpropanoate;hydrochloride
PubChem CID141027321
Molecular FormulaC10H14ClNO2
Molecular Weight215.68 g/mol
Exact Mass215.07
IUPAC Namemethyl (2R)-2-amino-2-phenylpropanoate;hydrochloride
SMILESCOC(=O)[C@](C)(N)c1ccccc1.Cl
InChIInChI=1S/C10H13NO2.ClH/c1-10(11,9(12)13-2)8-6-4-3-5-7-8;/h3-7H,11H2,1-2H3;1H/t10-;/m1./s1
InChIKeyVBBAHSFGHQGGNJ-HNCPQSOCSA-N
XLogP1.46
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.68
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

phenyl (2R)-2-amino-2-phenylpropanoate
CID 142678159
ethyl (2S)-2-amino-2-phenylpropanoate
CID 86615568
methyl (2R)-2-amino-2-naphthalen-2-ylpropanoate
CID 90757177
(2R)-2-amino-3-methoxy-3-oxo-2-phenylpropanoic acid
CID 66823925
benzyl 2-amino-2-phenylpropanoate
CID 54322564
(2-fluorophenyl) 2-amino-2-phenylpropanoate
CID 174648990
methyl 2-hydrazinyl-2-phenylpropanoate
CID 146190262
(2R)-2-amino-2-phenylpropanoyl chloride
CID 141365713
methyl 2-amino-2,4-dimethyl-4-phenylpentanoate
CID 14899524
methyl 2,2-dibromo-2-phenylacetate
CID 59974916
2-amino-2-phenyl-N-(2,2,2-trifluoroethyl)propanamide;hydrochloride
CID 120588942
cyclopentyl 2-amino-2-phenylpropanoate
CID 62488557

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-amino-2-phenylpropanoate;hydrochloride?
The IUPAC name of methyl (2R)-2-amino-2-phenylpropanoate;hydrochloride (CID 141027321) is methyl (2R)-2-amino-2-phenylpropanoate;hydrochloride.
What is the SMILES notation for methyl (2R)-2-amino-2-phenylpropanoate;hydrochloride?
The canonical SMILES for methyl (2R)-2-amino-2-phenylpropanoate;hydrochloride is COC(=O)[C@](C)(N)c1ccccc1.Cl.
What is the InChIKey of methyl (2R)-2-amino-2-phenylpropanoate;hydrochloride?
The InChIKey is VBBAHSFGHQGGNJ-HNCPQSOCSA-N. The full InChI is InChI=1S/C10H13NO2.ClH/c1-10(11,9(12)13-2)8-6-4-3-5-7-8;/h3-7H,11H2,1-2H3;1H/t10-;/m1./s1.
What are the key properties of methyl (2R)-2-amino-2-phenylpropanoate;hydrochloride?
methyl (2R)-2-amino-2-phenylpropanoate;hydrochloride has a molecular weight of 215.68 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-amino-2-phenylpropanoate;hydrochloride is sourced from PubChem (CID 141027321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).