amino 3-phenylprop-2-enoate

C9H9NO2 — CID 67189797

IUPACamino 3-phenylprop-2-enoate
SMILESNOC(=O)C=Cc1ccccc1
InChIInChI=1S/C9H9NO2/c10-12-9(11)7-6-8-4-2-1-3-5-8/h1-7H,10H2
InChIKeyOWIUXSOPOJCGHW-UHFFFAOYSA-N
MW163.18 g/mol
LogP1.12
Rot. Bonds2

About amino 3-phenylprop-2-enoate

amino 3-phenylprop-2-enoate (PubChem CID 67189797) has the molecular formula C9H9NO2 and a molecular weight of 163.18 g/mol. Its IUPAC name is amino 3-phenylprop-2-enoate.

Molecular Properties

Compound Nameamino 3-phenylprop-2-enoate
PubChem CID67189797
Molecular FormulaC9H9NO2
Molecular Weight163.18 g/mol
Exact Mass163.06
IUPAC Nameamino 3-phenylprop-2-enoate
SMILESNOC(=O)C=Cc1ccccc1
InChIInChI=1S/C9H9NO2/c10-12-9(11)7-6-8-4-2-1-3-5-8/h1-7H,10H2
InChIKeyOWIUXSOPOJCGHW-UHFFFAOYSA-N
XLogP1.12
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

lanthanum;(E)-3-phenylprop-2-eneperoxoic acid
CID 122589716
diaminomethyl 3-phenylprop-2-enoate
CID 59346009
2-(3-phenylprop-2-enoyloxy)acetic acid
CID 54392103
[3,5-bis[[(E)-3-phenylprop-2-enoyl]oxy]phenyl] (E)-3-phenylprop-2-enoate
CID 59860900
2-phenylethenyl 3-phenylprop-2-enoate
CID 56982570
methyl 3-[4-(2-phenylethenyl)phenyl]prop-2-enoate
CID 622059
acetyl 3-phenylprop-2-enoate
CID 57206996
ethane;phenyl 3-phenylprop-2-enoate
CID 90878305
(4-aminophenyl) (E)-3-phenylprop-2-enoate
CID 87778224
[(E)-1-chloro-2-phenylethenyl] (E)-3-phenylprop-2-enoate
CID 11173647
phenyl 3-[4-(3-oxo-3-phenoxyprop-1-enyl)phenyl]prop-2-enoate
CID 86184537
(Z)-3-phenylprop-2-enoic acid
CID 5372954

Frequently Asked Questions

What is the IUPAC name of amino 3-phenylprop-2-enoate?
The IUPAC name of amino 3-phenylprop-2-enoate (CID 67189797) is amino 3-phenylprop-2-enoate.
What is the SMILES notation for amino 3-phenylprop-2-enoate?
The canonical SMILES for amino 3-phenylprop-2-enoate is NOC(=O)C=Cc1ccccc1.
What is the InChIKey of amino 3-phenylprop-2-enoate?
The InChIKey is OWIUXSOPOJCGHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO2/c10-12-9(11)7-6-8-4-2-1-3-5-8/h1-7H,10H2.
What are the key properties of amino 3-phenylprop-2-enoate?
amino 3-phenylprop-2-enoate has a molecular weight of 163.18 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for amino 3-phenylprop-2-enoate is sourced from PubChem (CID 67189797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).