prop-2-enyl 3-[4-(hydroxymethylcarbamoyloxy)phenyl]propanoate

C14H17NO5 — CID 138627874

IUPACprop-2-enyl 3-[4-(hydroxymethylcarbamoyloxy)phenyl]propanoate
SMILESC=CCOC(=O)CCc1ccc(OC(=O)NCO)cc1
InChIInChI=1S/C14H17NO5/c1-2-9-19-13(17)8-5-11-3-6-12(7-4-11)20-14(18)15-10-16/h2-4,6-7,16H,1,5,8-10H2,(H,15,18)
InChIKeyOZNIEFMJJYZITI-UHFFFAOYSA-N
MW279.29 g/mol
LogP1.39
Rot. Bonds7

About prop-2-enyl 3-[4-(hydroxymethylcarbamoyloxy)phenyl]propanoate

prop-2-enyl 3-[4-(hydroxymethylcarbamoyloxy)phenyl]propanoate (PubChem CID 138627874) has the molecular formula C14H17NO5 and a molecular weight of 279.29 g/mol. Its IUPAC name is prop-2-enyl 3-[4-(hydroxymethylcarbamoyloxy)phenyl]propanoate.

Molecular Properties

Compound Nameprop-2-enyl 3-[4-(hydroxymethylcarbamoyloxy)phenyl]propanoate
PubChem CID138627874
Molecular FormulaC14H17NO5
Molecular Weight279.29 g/mol
Exact Mass279.11
IUPAC Nameprop-2-enyl 3-[4-(hydroxymethylcarbamoyloxy)phenyl]propanoate
SMILESC=CCOC(=O)CCc1ccc(OC(=O)NCO)cc1
InChIInChI=1S/C14H17NO5/c1-2-9-19-13(17)8-5-11-3-6-12(7-4-11)20-14(18)15-10-16/h2-4,6-7,16H,1,5,8-10H2,(H,15,18)
InChIKeyOZNIEFMJJYZITI-UHFFFAOYSA-N
XLogP1.39
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze prop-2-enyl 3-[4-(hydroxymethylcarbamoyloxy)phenyl]propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

bis[4-(3-oxo-3-prop-2-enoxypropyl)phenyl] heptanedioate
CID 159802088
prop-2-enyl 5-[[2-[4-(hydroxymethyl)phenoxy]-2-oxoethyl]carbamoyl]-6-methylheptanoate
CID 123362353
2-[4-[2-(prop-2-enoxycarbonylamino)ethyl]phenoxy]acetic acid
CID 22160443
prop-2-enyl N-[2-(4-methylphenyl)ethyl]carbamate
CID 127503444
bis(prop-2-enyl) (2S)-2-[(4-formylphenoxy)carbonylamino]pentanedioate
CID 10785678
[4-(2-aminoethyl)phenyl] N-ethylcarbamate
CID 79337248
ethyl 5-(4-prop-2-enoxyphenyl)pentanoate
CID 159399801
tert-butyl 3-(4-prop-2-enoyloxyphenyl)propanoate
CID 68930141
[4-(prop-2-enoxycarbonyloxymethyl)phenyl] prop-2-enyl carbonate
CID 66614557
[4-(2-aminoethyl)phenyl] N-propylcarbamate
CID 79338383
tert-butyl-[[4-[[(2S)-1,5-dioxo-1,5-bis(prop-2-enoxy)pentan-2-yl]carbamoyloxy]phenyl]methoxy]-ethylsulfanium
CID 163789922
prop-2-enyl 3-[[4-(iodomethyl)benzoyl]amino]propanoate
CID 10571373

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 3-[4-(hydroxymethylcarbamoyloxy)phenyl]propanoate?
The IUPAC name of prop-2-enyl 3-[4-(hydroxymethylcarbamoyloxy)phenyl]propanoate (CID 138627874) is prop-2-enyl 3-[4-(hydroxymethylcarbamoyloxy)phenyl]propanoate.
What is the SMILES notation for prop-2-enyl 3-[4-(hydroxymethylcarbamoyloxy)phenyl]propanoate?
The canonical SMILES for prop-2-enyl 3-[4-(hydroxymethylcarbamoyloxy)phenyl]propanoate is C=CCOC(=O)CCc1ccc(OC(=O)NCO)cc1.
What is the InChIKey of prop-2-enyl 3-[4-(hydroxymethylcarbamoyloxy)phenyl]propanoate?
The InChIKey is OZNIEFMJJYZITI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO5/c1-2-9-19-13(17)8-5-11-3-6-12(7-4-11)20-14(18)15-10-16/h2-4,6-7,16H,1,5,8-10H2,(H,15,18).
What are the key properties of prop-2-enyl 3-[4-(hydroxymethylcarbamoyloxy)phenyl]propanoate?
prop-2-enyl 3-[4-(hydroxymethylcarbamoyloxy)phenyl]propanoate has a molecular weight of 279.29 g/mol, XLogP of 1.39, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 3-[4-(hydroxymethylcarbamoyloxy)phenyl]propanoate is sourced from PubChem (CID 138627874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).