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

C10H13NO2 — CID 788100

IUPACmethyl (3R)-3-amino-3-phenylpropanoate
SMILESCOC(=O)C[C@@H](N)c1ccccc1
InChIInChI=1S/C10H13NO2/c1-13-10(12)7-9(11)8-5-3-2-4-6-8/h2-6,9H,7,11H2,1H3/t9-/m1/s1
InChIKeyXKIOBYHZFPTKCZ-SECBINFHSA-N
MW179.22 g/mol
LogP1.25
Rot. Bonds3

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

methyl (3R)-3-amino-3-phenylpropanoate (PubChem CID 788100) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is methyl (3R)-3-amino-3-phenylpropanoate.

Molecular Properties

Compound Namemethyl (3R)-3-amino-3-phenylpropanoate
PubChem CID788100
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Namemethyl (3R)-3-amino-3-phenylpropanoate
SMILESCOC(=O)C[C@@H](N)c1ccccc1
InChIInChI=1S/C10H13NO2/c1-13-10(12)7-9(11)8-5-3-2-4-6-8/h2-6,9H,7,11H2,1H3/t9-/m1/s1
InChIKeyXKIOBYHZFPTKCZ-SECBINFHSA-N
XLogP1.25
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 ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl (3R)-3-amino-3-phenylpropanoate?
The IUPAC name of methyl (3R)-3-amino-3-phenylpropanoate (CID 788100) is methyl (3R)-3-amino-3-phenylpropanoate.
What is the SMILES notation for methyl (3R)-3-amino-3-phenylpropanoate?
The canonical SMILES for methyl (3R)-3-amino-3-phenylpropanoate is COC(=O)C[C@@H](N)c1ccccc1.
What is the InChIKey of methyl (3R)-3-amino-3-phenylpropanoate?
The InChIKey is XKIOBYHZFPTKCZ-SECBINFHSA-N. The full InChI is InChI=1S/C10H13NO2/c1-13-10(12)7-9(11)8-5-3-2-4-6-8/h2-6,9H,7,11H2,1H3/t9-/m1/s1.
What are the key properties of methyl (3R)-3-amino-3-phenylpropanoate?
methyl (3R)-3-amino-3-phenylpropanoate has a molecular weight of 179.22 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-3-amino-3-phenylpropanoate is sourced from PubChem (CID 788100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).