(2-methylphenyl) 2-aminoprop-2-enoate

C10H11NO2 — CID 174884236

IUPAC(2-methylphenyl) 2-aminoprop-2-enoate
SMILESC=C(N)C(=O)Oc1ccccc1C
InChIInChI=1S/C10H11NO2/c1-7-5-3-4-6-9(7)13-10(12)8(2)11/h3-6H,2,11H2,1H3
InChIKeyJMKXMUGGNQCCOW-UHFFFAOYSA-N
MW177.20 g/mol
LogP1.37
Rot. Bonds2

About (2-methylphenyl) 2-aminoprop-2-enoate

(2-methylphenyl) 2-aminoprop-2-enoate (PubChem CID 174884236) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is (2-methylphenyl) 2-aminoprop-2-enoate.

Molecular Properties

Compound Name(2-methylphenyl) 2-aminoprop-2-enoate
PubChem CID174884236
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name(2-methylphenyl) 2-aminoprop-2-enoate
SMILESC=C(N)C(=O)Oc1ccccc1C
InChIInChI=1S/C10H11NO2/c1-7-5-3-4-6-9(7)13-10(12)8(2)11/h3-6H,2,11H2,1H3
InChIKeyJMKXMUGGNQCCOW-UHFFFAOYSA-N
XLogP1.37
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 ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-O-ethyl 2-O-(2-methylphenyl) oxalate
CID 6422111
(2-methylphenyl) 2-methanethioylprop-2-enoate
CID 54230018
2-O-(2-methylphenyl) 1-O-(4-methylphenyl) oxalate
CID 174691323
(2-methylphenyl) 2-(2-methylprop-2-enoyloxy)-3-oxobutanoate
CID 69128181
(2-methylphenyl) 2-methylidenehexanoate
CID 139998276
2-O-(2-methylphenyl) 1-O-octadecyl oxalate
CID 6422103
bis[2-(2-methylphenyl)phenyl] oxalate
CID 70127324
1-buta-1,3-dien-2-yloxy-2-methylbenzene
CID 123651418
(2-methylphenyl) 2-ethylbutanoate
CID 78776856
N-tert-butyl-2-methylprop-2-enamide;(2-methylphenyl) 2-methylprop-2-enoate
CID 160689388
(2-methylphenyl) 2-methoxy-3-phenylprop-2-enoate
CID 171485584
(2-methylphenyl) 3-methoxyprop-2-enoate
CID 57171911

Frequently Asked Questions

What is the IUPAC name of (2-methylphenyl) 2-aminoprop-2-enoate?
The IUPAC name of (2-methylphenyl) 2-aminoprop-2-enoate (CID 174884236) is (2-methylphenyl) 2-aminoprop-2-enoate.
What is the SMILES notation for (2-methylphenyl) 2-aminoprop-2-enoate?
The canonical SMILES for (2-methylphenyl) 2-aminoprop-2-enoate is C=C(N)C(=O)Oc1ccccc1C.
What is the InChIKey of (2-methylphenyl) 2-aminoprop-2-enoate?
The InChIKey is JMKXMUGGNQCCOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2/c1-7-5-3-4-6-9(7)13-10(12)8(2)11/h3-6H,2,11H2,1H3.
What are the key properties of (2-methylphenyl) 2-aminoprop-2-enoate?
(2-methylphenyl) 2-aminoprop-2-enoate has a molecular weight of 177.20 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylphenyl) 2-aminoprop-2-enoate is sourced from PubChem (CID 174884236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).