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

C10H13NO2 — CID 7183129

IUPACmethyl (2R)-3-amino-2-phenylpropanoate
SMILESCOC(=O)[C@@H](CN)c1ccccc1
InChIInChI=1S/C10H13NO2/c1-13-10(12)9(7-11)8-5-3-2-4-6-8/h2-6,9H,7,11H2,1H3/t9-/m0/s1
InChIKeyWSDDSIXJNPGPSI-VIFPVBQESA-N
MW179.22 g/mol
LogP0.90
Rot. Bonds3

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

methyl (2R)-3-amino-2-phenylpropanoate (PubChem CID 7183129) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is methyl (2R)-3-amino-2-phenylpropanoate.

Molecular Properties

Compound Namemethyl (2R)-3-amino-2-phenylpropanoate
PubChem CID7183129
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Namemethyl (2R)-3-amino-2-phenylpropanoate
SMILESCOC(=O)[C@@H](CN)c1ccccc1
InChIInChI=1S/C10H13NO2/c1-13-10(12)9(7-11)8-5-3-2-4-6-8/h2-6,9H,7,11H2,1H3/t9-/m0/s1
InChIKeyWSDDSIXJNPGPSI-VIFPVBQESA-N
XLogP0.90
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-amino-2-phenylbutanoate;hydrochloride
CID 66905089
ethyl (2S)-3-amino-2-phenylpropanoate
CID 848661
methyl 4-amino-2-phenylpentanoate
CID 57041145
methyl 3-methylsulfinyl-2-phenylpropanoate
CID 64559431
2-methylpropyl 3-amino-2-phenylpropanoate
CID 62876752
methyl (2S)-3-amino-2-pyridin-3-ylpropanoate
CID 57242808
methyl 3-methylsulfonyl-2-phenylpropanoate
CID 64560571
CID 172861742
CID 172861742
methyl 2-phenyl-3-trimethylsilyloxypropanoate
CID 552740
methyl 2-phenylheptanoate
CID 143443478
methyl 2-phenylhex-4-enoate
CID 141185877
methyl 3-[ethyl(methyl)amino]-2-phenylpropanoate
CID 64567687

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-3-amino-2-phenylpropanoate?
The IUPAC name of methyl (2R)-3-amino-2-phenylpropanoate (CID 7183129) is methyl (2R)-3-amino-2-phenylpropanoate.
What is the SMILES notation for methyl (2R)-3-amino-2-phenylpropanoate?
The canonical SMILES for methyl (2R)-3-amino-2-phenylpropanoate is COC(=O)[C@@H](CN)c1ccccc1.
What is the InChIKey of methyl (2R)-3-amino-2-phenylpropanoate?
The InChIKey is WSDDSIXJNPGPSI-VIFPVBQESA-N. The full InChI is InChI=1S/C10H13NO2/c1-13-10(12)9(7-11)8-5-3-2-4-6-8/h2-6,9H,7,11H2,1H3/t9-/m0/s1.
What are the key properties of methyl (2R)-3-amino-2-phenylpropanoate?
methyl (2R)-3-amino-2-phenylpropanoate has a molecular weight of 179.22 g/mol, XLogP of 0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-3-amino-2-phenylpropanoate is sourced from PubChem (CID 7183129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).