azane;(Z)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid

C10H13NO4 — CID 25050146

IUPACazane;(Z)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid
SMILESCOc1cc(/C=C\C(=O)O)ccc1O.N
InChIInChI=1S/C10H10O4.H3N/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13;/h2-6,11H,1H3,(H,12,13);1H3/b5-3-;
InChIKeyCHIVDOLFXAKMDO-FBZPGIPVSA-N
MW211.22 g/mol
LogP1.66
Rot. Bonds3

About azane;(Z)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid

azane;(Z)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid (PubChem CID 25050146) has the molecular formula C10H13NO4 and a molecular weight of 211.22 g/mol. Its IUPAC name is azane;(Z)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid.

Molecular Properties

Compound Nameazane;(Z)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid
PubChem CID25050146
Molecular FormulaC10H13NO4
Molecular Weight211.22 g/mol
Exact Mass211.08
IUPAC Nameazane;(Z)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid
SMILESCOc1cc(/C=C\C(=O)O)ccc1O.N
InChIInChI=1S/C10H10O4.H3N/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13;/h2-6,11H,1H3,(H,12,13);1H3/b5-3-;
InChIKeyCHIVDOLFXAKMDO-FBZPGIPVSA-N
XLogP1.66
TPSA101.76 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

trisodium;hydride;3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid
CID 174973622
(E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid;(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid;2-methoxy-4-[(E)-prop-1-enyl]phenol
CID 161331939
(2E,4E)-5-(4-hydroxy-3-methoxyphenyl)penta-2,4-dienoic acid
CID 14053117
benzamide;3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid
CID 174791707
benzene;(1E,6E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione
CID 174945129
magnesium;3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid;3-(3-methoxy-4-oxidophenyl)prop-2-enoate
CID 154734960
(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid;1H-pyrazole
CID 175111397
magnesium;(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid;(E)-3-(3-methoxy-4-oxidophenyl)prop-2-enoate
CID 102269379
(1E,6E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione
CID 969516
[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-eneperoxoate
CID 155779332
2,3-bis[[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy]butanedioic acid
CID 46202731
S-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]sulfanyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enethioate
CID 122188493

Frequently Asked Questions

What is the IUPAC name of azane;(Z)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid?
The IUPAC name of azane;(Z)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid (CID 25050146) is azane;(Z)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid.
What is the SMILES notation for azane;(Z)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid?
The canonical SMILES for azane;(Z)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid is COc1cc(/C=C\C(=O)O)ccc1O.N.
What is the InChIKey of azane;(Z)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid?
The InChIKey is CHIVDOLFXAKMDO-FBZPGIPVSA-N. The full InChI is InChI=1S/C10H10O4.H3N/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13;/h2-6,11H,1H3,(H,12,13);1H3/b5-3-;.
What are the key properties of azane;(Z)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid?
azane;(Z)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid has a molecular weight of 211.22 g/mol, XLogP of 1.66, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azane;(Z)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid is sourced from PubChem (CID 25050146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).