methyl 2-amino-3-hydroxy-3-phenylpropanoate

C10H13NO3 — CID 3639766

IUPACmethyl 2-amino-3-hydroxy-3-phenylpropanoate
SMILESCOC(=O)C(N)C(O)c1ccccc1
InChIInChI=1S/C10H13NO3/c1-14-10(13)8(11)9(12)7-5-3-2-4-6-7/h2-6,8-9,12H,11H2,1H3
InChIKeyNEERCCCZJQLIDJ-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.22
Rot. Bonds3

About methyl 2-amino-3-hydroxy-3-phenylpropanoate

methyl 2-amino-3-hydroxy-3-phenylpropanoate (PubChem CID 3639766) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is methyl 2-amino-3-hydroxy-3-phenylpropanoate.

Molecular Properties

Compound Namemethyl 2-amino-3-hydroxy-3-phenylpropanoate
PubChem CID3639766
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Namemethyl 2-amino-3-hydroxy-3-phenylpropanoate
SMILESCOC(=O)C(N)C(O)c1ccccc1
InChIInChI=1S/C10H13NO3/c1-14-10(13)8(11)9(12)7-5-3-2-4-6-7/h2-6,8-9,12H,11H2,1H3
InChIKeyNEERCCCZJQLIDJ-UHFFFAOYSA-N
XLogP0.22
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-3-hydroxy-3-phenylpropanoate?
The IUPAC name of methyl 2-amino-3-hydroxy-3-phenylpropanoate (CID 3639766) is methyl 2-amino-3-hydroxy-3-phenylpropanoate.
What is the SMILES notation for methyl 2-amino-3-hydroxy-3-phenylpropanoate?
The canonical SMILES for methyl 2-amino-3-hydroxy-3-phenylpropanoate is COC(=O)C(N)C(O)c1ccccc1.
What is the InChIKey of methyl 2-amino-3-hydroxy-3-phenylpropanoate?
The InChIKey is NEERCCCZJQLIDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-14-10(13)8(11)9(12)7-5-3-2-4-6-7/h2-6,8-9,12H,11H2,1H3.
What are the key properties of methyl 2-amino-3-hydroxy-3-phenylpropanoate?
methyl 2-amino-3-hydroxy-3-phenylpropanoate has a molecular weight of 195.22 g/mol, XLogP of 0.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-3-hydroxy-3-phenylpropanoate is sourced from PubChem (CID 3639766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).