methyl (2R)-2-amino-3-phenylpropanoate;hydrochloride

C10H14ClNO2 — CID 11481330

IUPACmethyl (2R)-2-amino-3-phenylpropanoate;hydrochloride
SMILESCOC(=O)[C@H](N)Cc1ccccc1.Cl
InChIInChI=1S/C10H13NO2.ClH/c1-13-10(12)9(11)7-8-5-3-2-4-6-8;/h2-6,9H,7,11H2,1H3;1H/t9-;/m1./s1
InChIKeySWVMLNPDTIFDDY-SBSPUUFOSA-N
MW215.68 g/mol
LogP1.15
Rot. Bonds3

About methyl (2R)-2-amino-3-phenylpropanoate;hydrochloride

methyl (2R)-2-amino-3-phenylpropanoate;hydrochloride (PubChem CID 11481330) has the molecular formula C10H14ClNO2 and a molecular weight of 215.68 g/mol. Its IUPAC name is methyl (2R)-2-amino-3-phenylpropanoate;hydrochloride.

Molecular Properties

Compound Namemethyl (2R)-2-amino-3-phenylpropanoate;hydrochloride
PubChem CID11481330
Molecular FormulaC10H14ClNO2
Molecular Weight215.68 g/mol
Exact Mass215.07
IUPAC Namemethyl (2R)-2-amino-3-phenylpropanoate;hydrochloride
SMILESCOC(=O)[C@H](N)Cc1ccccc1.Cl
InChIInChI=1S/C10H13NO2.ClH/c1-13-10(12)9(11)7-8-5-3-2-4-6-8;/h2-6,9H,7,11H2,1H3;1H/t9-;/m1./s1
InChIKeySWVMLNPDTIFDDY-SBSPUUFOSA-N
XLogP1.15
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.68
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

L-Phenylalanine
CID 6140
Dl-Phenylalanine
CID 994
D-Phenylalanine
CID 71567
p-Fluorophenylalanine
CID 4654
L-Phenylglycine
CID 99291
2-Phenylglycine
CID 3866
DL-alpha-Methylphenylalanine
CID 108055
L-p-Boronophenylalanine
CID 150315
Phenylglycine, D-
CID 70134
(S)-2-amino-4-phenylbutanoic acid
CID 2724505
4-fluoro-L-phenylalanine
CID 716312
Homophenylalanine, DL-
CID 102530

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-amino-3-phenylpropanoate;hydrochloride?
The IUPAC name of methyl (2R)-2-amino-3-phenylpropanoate;hydrochloride (CID 11481330) is methyl (2R)-2-amino-3-phenylpropanoate;hydrochloride.
What is the SMILES notation for methyl (2R)-2-amino-3-phenylpropanoate;hydrochloride?
The canonical SMILES for methyl (2R)-2-amino-3-phenylpropanoate;hydrochloride is COC(=O)[C@H](N)Cc1ccccc1.Cl.
What is the InChIKey of methyl (2R)-2-amino-3-phenylpropanoate;hydrochloride?
The InChIKey is SWVMLNPDTIFDDY-SBSPUUFOSA-N. The full InChI is InChI=1S/C10H13NO2.ClH/c1-13-10(12)9(11)7-8-5-3-2-4-6-8;/h2-6,9H,7,11H2,1H3;1H/t9-;/m1./s1.
What are the key properties of methyl (2R)-2-amino-3-phenylpropanoate;hydrochloride?
methyl (2R)-2-amino-3-phenylpropanoate;hydrochloride has a molecular weight of 215.68 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-amino-3-phenylpropanoate;hydrochloride is sourced from PubChem (CID 11481330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).