methyl (Z)-2-amino-3-phenylprop-2-enoate

C10H11NO2 — CID 10773647

IUPACmethyl (Z)-2-amino-3-phenylprop-2-enoate
SMILESCOC(=O)/C(N)=C/c1ccccc1
InChIInChI=1S/C10H11NO2/c1-13-10(12)9(11)7-8-5-3-2-4-6-8/h2-7H,11H2,1H3/b9-7-
InChIKeyLYEKNSZDVQJLOV-CLFYSBASSA-N
MW177.20 g/mol
LogP1.16
Rot. Bonds2

About methyl (Z)-2-amino-3-phenylprop-2-enoate

methyl (Z)-2-amino-3-phenylprop-2-enoate (PubChem CID 10773647) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is methyl (Z)-2-amino-3-phenylprop-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-2-amino-3-phenylprop-2-enoate
PubChem CID10773647
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Namemethyl (Z)-2-amino-3-phenylprop-2-enoate
SMILESCOC(=O)/C(N)=C/c1ccccc1
InChIInChI=1S/C10H11NO2/c1-13-10(12)9(11)7-8-5-3-2-4-6-8/h2-7H,11H2,1H3/b9-7-
InChIKeyLYEKNSZDVQJLOV-CLFYSBASSA-N
XLogP1.16
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl (Z)-2-amino-3-phenylprop-2-enoate?
The IUPAC name of methyl (Z)-2-amino-3-phenylprop-2-enoate (CID 10773647) is methyl (Z)-2-amino-3-phenylprop-2-enoate.
What is the SMILES notation for methyl (Z)-2-amino-3-phenylprop-2-enoate?
The canonical SMILES for methyl (Z)-2-amino-3-phenylprop-2-enoate is COC(=O)/C(N)=C/c1ccccc1.
What is the InChIKey of methyl (Z)-2-amino-3-phenylprop-2-enoate?
The InChIKey is LYEKNSZDVQJLOV-CLFYSBASSA-N. The full InChI is InChI=1S/C10H11NO2/c1-13-10(12)9(11)7-8-5-3-2-4-6-8/h2-7H,11H2,1H3/b9-7-.
What are the key properties of methyl (Z)-2-amino-3-phenylprop-2-enoate?
methyl (Z)-2-amino-3-phenylprop-2-enoate has a molecular weight of 177.20 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-2-amino-3-phenylprop-2-enoate is sourced from PubChem (CID 10773647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).