ethanamine;(Z)-3-(4-hydroxyphenyl)-2-methoxyprop-2-enoic acid

C12H17NO4 — CID 173177600

IUPACethanamine;(Z)-3-(4-hydroxyphenyl)-2-methoxyprop-2-enoic acid
SMILESCCN.CO/C(=C\c1ccc(O)cc1)C(=O)O
InChIInChI=1S/C10H10O4.C2H7N/c1-14-9(10(12)13)6-7-2-4-8(11)5-3-7;1-2-3/h2-6,11H,1H3,(H,12,13);2-3H2,1H3/b9-6-;
InChIKeyZTHDKGIHVSEASJ-BORNJIKYSA-N
MW239.27 g/mol
LogP1.43
Rot. Bonds3

About ethanamine;(Z)-3-(4-hydroxyphenyl)-2-methoxyprop-2-enoic acid

ethanamine;(Z)-3-(4-hydroxyphenyl)-2-methoxyprop-2-enoic acid (PubChem CID 173177600) has the molecular formula C12H17NO4 and a molecular weight of 239.27 g/mol. Its IUPAC name is ethanamine;(Z)-3-(4-hydroxyphenyl)-2-methoxyprop-2-enoic acid.

Molecular Properties

Compound Nameethanamine;(Z)-3-(4-hydroxyphenyl)-2-methoxyprop-2-enoic acid
PubChem CID173177600
Molecular FormulaC12H17NO4
Molecular Weight239.27 g/mol
Exact Mass239.12
IUPAC Nameethanamine;(Z)-3-(4-hydroxyphenyl)-2-methoxyprop-2-enoic acid
SMILESCCN.CO/C(=C\c1ccc(O)cc1)C(=O)O
InChIInChI=1S/C10H10O4.C2H7N/c1-14-9(10(12)13)6-7-2-4-8(11)5-3-7;1-2-3/h2-6,11H,1H3,(H,12,13);2-3H2,1H3/b9-6-;
InChIKeyZTHDKGIHVSEASJ-BORNJIKYSA-N
XLogP1.43
TPSA92.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-3-(4-hydroxyphenyl)-2-methoxyprop-2-enoic acid
CID 15965811
N,N-diethylethanamine;(Z)-3-(4-hydroxyphenyl)-2-methoxyprop-2-enoic acid
CID 173177567
ethanamine;(Z)-2-methoxy-3-(4-phenylmethoxyphenyl)prop-2-enoic acid
CID 173177701
2-methoxy-3-phenylprop-2-enoic acid
CID 7021154
CID 159805914
CID 159805914
europium;tris(2-methoxy-3-phenylprop-2-enoic acid)
CID 169448208
strontium bis(4-[(Z)-2-carboxy-2-methoxyethenyl]phenolate)
CID 87864699
methanamine;2-methoxy-3-(4-phenylmethoxyphenyl)prop-2-enoic acid
CID 173177580
azane;(Z)-2-methoxy-3-(4-phenylmethoxyphenyl)prop-2-enoic acid
CID 173177562
3-(4-acetylphenyl)-2-ethoxyprop-2-enoic acid
CID 139651231
2-methoxy-3-phenylprop-2-enoic acid;octyl 2-methoxy-3-phenylprop-2-enoate
CID 162017685
2-ethoxy-3-(4-ethylphenyl)prop-2-enoic acid
CID 139651424

Frequently Asked Questions

What is the IUPAC name of ethanamine;(Z)-3-(4-hydroxyphenyl)-2-methoxyprop-2-enoic acid?
The IUPAC name of ethanamine;(Z)-3-(4-hydroxyphenyl)-2-methoxyprop-2-enoic acid (CID 173177600) is ethanamine;(Z)-3-(4-hydroxyphenyl)-2-methoxyprop-2-enoic acid.
What is the SMILES notation for ethanamine;(Z)-3-(4-hydroxyphenyl)-2-methoxyprop-2-enoic acid?
The canonical SMILES for ethanamine;(Z)-3-(4-hydroxyphenyl)-2-methoxyprop-2-enoic acid is CCN.CO/C(=C\c1ccc(O)cc1)C(=O)O.
What is the InChIKey of ethanamine;(Z)-3-(4-hydroxyphenyl)-2-methoxyprop-2-enoic acid?
The InChIKey is ZTHDKGIHVSEASJ-BORNJIKYSA-N. The full InChI is InChI=1S/C10H10O4.C2H7N/c1-14-9(10(12)13)6-7-2-4-8(11)5-3-7;1-2-3/h2-6,11H,1H3,(H,12,13);2-3H2,1H3/b9-6-;.
What are the key properties of ethanamine;(Z)-3-(4-hydroxyphenyl)-2-methoxyprop-2-enoic acid?
ethanamine;(Z)-3-(4-hydroxyphenyl)-2-methoxyprop-2-enoic acid has a molecular weight of 239.27 g/mol, XLogP of 1.43, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethanamine;(Z)-3-(4-hydroxyphenyl)-2-methoxyprop-2-enoic acid is sourced from PubChem (CID 173177600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).