(2-amino-5-hydroxyphenyl) prop-2-enoate

C9H9NO3 — CID 174436758

IUPAC(2-amino-5-hydroxyphenyl) prop-2-enoate
SMILESC=CC(=O)Oc1cc(O)ccc1N
InChIInChI=1S/C9H9NO3/c1-2-9(12)13-8-5-6(11)3-4-7(8)10/h2-5,11H,1,10H2
InChIKeyIBTWDTVUEMAZPC-UHFFFAOYSA-N
MW179.17 g/mol
LogP1.07
Rot. Bonds2

About (2-amino-5-hydroxyphenyl) prop-2-enoate

(2-amino-5-hydroxyphenyl) prop-2-enoate (PubChem CID 174436758) has the molecular formula C9H9NO3 and a molecular weight of 179.17 g/mol. Its IUPAC name is (2-amino-5-hydroxyphenyl) prop-2-enoate.

Molecular Properties

Compound Name(2-amino-5-hydroxyphenyl) prop-2-enoate
PubChem CID174436758
Molecular FormulaC9H9NO3
Molecular Weight179.17 g/mol
Exact Mass179.06
IUPAC Name(2-amino-5-hydroxyphenyl) prop-2-enoate
SMILESC=CC(=O)Oc1cc(O)ccc1N
InChIInChI=1S/C9H9NO3/c1-2-9(12)13-8-5-6(11)3-4-7(8)10/h2-5,11H,1,10H2
InChIKeyIBTWDTVUEMAZPC-UHFFFAOYSA-N
XLogP1.07
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.17
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4,7-diaminonaphthalen-1-yl) prop-2-enoate
CID 141212743
(3,7-diaminonaphthalen-2-yl) prop-2-enoate
CID 141212742
(2-benzoyl-5-hydroxyphenyl) prop-2-enoate
CID 139962678
4-[4-hydroxy-2-(4-prop-2-enoyloxybutoxy)phenoxy]butyl prop-2-enoate
CID 121338867
[2-fluoro-4-(2-fluoro-4-hydroxyphenyl)phenyl] prop-2-enoate
CID 121333283
(4-hydroxyphenyl) prop-2-enoate;methoxymethane
CID 67882332
5-amino-2-prop-2-enoyloxybenzoic acid
CID 69379168
(4-prop-2-enoyloxynaphthalen-1-yl) prop-2-enoate
CID 70427728
3-(3-hydroxyphenyl)phenol;[3-(3-prop-2-enoyloxyphenyl)phenyl] prop-2-enoate
CID 160578050
4-(2,5-diaminophenoxy)butyl prop-2-enoate
CID 142701186
benzene-1,4-diol;bis(methyl prop-2-enoate)
CID 174482971
benzene-1,4-diol;methyl prop-2-enoate
CID 161143106

Frequently Asked Questions

What is the IUPAC name of (2-amino-5-hydroxyphenyl) prop-2-enoate?
The IUPAC name of (2-amino-5-hydroxyphenyl) prop-2-enoate (CID 174436758) is (2-amino-5-hydroxyphenyl) prop-2-enoate.
What is the SMILES notation for (2-amino-5-hydroxyphenyl) prop-2-enoate?
The canonical SMILES for (2-amino-5-hydroxyphenyl) prop-2-enoate is C=CC(=O)Oc1cc(O)ccc1N.
What is the InChIKey of (2-amino-5-hydroxyphenyl) prop-2-enoate?
The InChIKey is IBTWDTVUEMAZPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO3/c1-2-9(12)13-8-5-6(11)3-4-7(8)10/h2-5,11H,1,10H2.
What are the key properties of (2-amino-5-hydroxyphenyl) prop-2-enoate?
(2-amino-5-hydroxyphenyl) prop-2-enoate has a molecular weight of 179.17 g/mol, XLogP of 1.07, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-hydroxyphenyl) prop-2-enoate is sourced from PubChem (CID 174436758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).