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

C10H13NO3 — CID 69170701

IUPACazane;3-(4-methoxyphenyl)prop-2-enoic acid
SMILESCOc1ccc(C=CC(=O)O)cc1.N
InChIInChI=1S/C10H10O3.H3N/c1-13-9-5-2-8(3-6-9)4-7-10(11)12;/h2-7H,1H3,(H,11,12);1H3
InChIKeyISGUWSYDOACSAM-UHFFFAOYSA-N
MW195.22 g/mol
LogP1.96
Rot. Bonds3

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

azane;3-(4-methoxyphenyl)prop-2-enoic acid (PubChem CID 69170701) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is azane;3-(4-methoxyphenyl)prop-2-enoic acid.

Molecular Properties

Compound Nameazane;3-(4-methoxyphenyl)prop-2-enoic acid
PubChem CID69170701
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Nameazane;3-(4-methoxyphenyl)prop-2-enoic acid
SMILESCOc1ccc(C=CC(=O)O)cc1.N
InChIInChI=1S/C10H10O3.H3N/c1-13-9-5-2-8(3-6-9)4-7-10(11)12;/h2-7H,1H3,(H,11,12);1H3
InChIKeyISGUWSYDOACSAM-UHFFFAOYSA-N
XLogP1.96
TPSA81.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 69129935
CID 69129935
3-[4-(4-methoxyphenoxy)phenyl]prop-2-enoic acid
CID 20993961
(E)-3-(4-methoxyphenyl)prop-2-enoic acid;methylcyclopropane
CID 67564177
potassium (E)-4-(4-methoxyphenyl)-2-oxobut-3-enoic acid
CID 54609624
3-methoxy-5-(4-methoxyphenyl)penta-2,4-dienoic acid
CID 71336334
(4-methoxyphenyl) (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 774853
methyl (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 641297
CID 59090938
CID 59090938
3-(4-methoxyphenyl)prop-2-enoic acid;propyl propanoate
CID 159554839
2-(1-methoxyethenylamino)acetic acid;3-(4-methoxyphenyl)prop-2-enoic acid
CID 67565632
(E)-3-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enoic acid
CID 2345488
(E)-3-(4-methoxyphenyl)-N'-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]prop-2-enehydrazide
CID 21406103

Frequently Asked Questions

What is the IUPAC name of azane;3-(4-methoxyphenyl)prop-2-enoic acid?
The IUPAC name of azane;3-(4-methoxyphenyl)prop-2-enoic acid (CID 69170701) is azane;3-(4-methoxyphenyl)prop-2-enoic acid.
What is the SMILES notation for azane;3-(4-methoxyphenyl)prop-2-enoic acid?
The canonical SMILES for azane;3-(4-methoxyphenyl)prop-2-enoic acid is COc1ccc(C=CC(=O)O)cc1.N.
What is the InChIKey of azane;3-(4-methoxyphenyl)prop-2-enoic acid?
The InChIKey is ISGUWSYDOACSAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O3.H3N/c1-13-9-5-2-8(3-6-9)4-7-10(11)12;/h2-7H,1H3,(H,11,12);1H3.
What are the key properties of azane;3-(4-methoxyphenyl)prop-2-enoic acid?
azane;3-(4-methoxyphenyl)prop-2-enoic acid has a molecular weight of 195.22 g/mol, XLogP of 1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;3-(4-methoxyphenyl)prop-2-enoic acid is sourced from PubChem (CID 69170701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).