4-hydroxy-2-methylidenebutanamide;prop-2-enylcarbamic acid

C9H16N2O4 — CID 87552237

IUPAC4-hydroxy-2-methylidenebutanamide;prop-2-enylcarbamic acid
SMILESC=C(CCO)C(N)=O.C=CCNC(=O)O
InChIInChI=1S/C5H9NO2.C4H7NO2/c1-4(2-3-7)5(6)8;1-2-3-5-4(6)7/h7H,1-3H2,(H2,6,8);2,5H,1,3H2,(H,6,7)
InChIKeyAHUCIEHPSDOHTJ-UHFFFAOYSA-N
MW216.24 g/mol
LogP-0.15
Rot. Bonds5

About 4-hydroxy-2-methylidenebutanamide;prop-2-enylcarbamic acid

4-hydroxy-2-methylidenebutanamide;prop-2-enylcarbamic acid (PubChem CID 87552237) has the molecular formula C9H16N2O4 and a molecular weight of 216.24 g/mol. Its IUPAC name is 4-hydroxy-2-methylidenebutanamide;prop-2-enylcarbamic acid.

Molecular Properties

Compound Name4-hydroxy-2-methylidenebutanamide;prop-2-enylcarbamic acid
PubChem CID87552237
Molecular FormulaC9H16N2O4
Molecular Weight216.24 g/mol
Exact Mass216.11
IUPAC Name4-hydroxy-2-methylidenebutanamide;prop-2-enylcarbamic acid
SMILESC=C(CCO)C(N)=O.C=CCNC(=O)O
InChIInChI=1S/C5H9NO2.C4H7NO2/c1-4(2-3-7)5(6)8;1-2-3-5-4(6)7/h7H,1-3H2,(H2,6,8);2,5H,1,3H2,(H,6,7)
InChIKeyAHUCIEHPSDOHTJ-UHFFFAOYSA-N
XLogP-0.15
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 5-0.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

prop-2-enylcarbamic acid;hydrate
CID 173458484
methanethiol;prop-2-enylcarbamic acid
CID 175464551
4-hydroxy-N-prop-2-enylbutanamide
CID 55286226
carbamothioic S-acid;molybdenum;prop-2-enylcarbamothioic S-acid;sulfuric acid
CID 88616924
N-(5-hydroxypentyl)-N'-prop-2-enyloxamide
CID 108525776
N-(3-hydroxypropyl)-N'-prop-2-enyloxamide
CID 3099196
3-oxo-3-(prop-2-enylamino)prop-1-ene-2-sulfonic acid
CID 87500396
4-hydroxy-2-methylidenebutanamide;4-phenylbut-3-en-1-ol
CID 175582028
azane;2-methylidenepent-4-enamide
CID 87195427
molybdenum;hexakis(N-prop-2-enylcarbamothioate)
CID 173070392
2-hydroxyacetic acid;2-methylidenepent-4-enamide;prop-2-en-1-ol
CID 174416041
4-oxo-4-(prop-2-enylamino)butanoic acid
CID 5157666

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-methylidenebutanamide;prop-2-enylcarbamic acid?
The IUPAC name of 4-hydroxy-2-methylidenebutanamide;prop-2-enylcarbamic acid (CID 87552237) is 4-hydroxy-2-methylidenebutanamide;prop-2-enylcarbamic acid.
What is the SMILES notation for 4-hydroxy-2-methylidenebutanamide;prop-2-enylcarbamic acid?
The canonical SMILES for 4-hydroxy-2-methylidenebutanamide;prop-2-enylcarbamic acid is C=C(CCO)C(N)=O.C=CCNC(=O)O.
What is the InChIKey of 4-hydroxy-2-methylidenebutanamide;prop-2-enylcarbamic acid?
The InChIKey is AHUCIEHPSDOHTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO2.C4H7NO2/c1-4(2-3-7)5(6)8;1-2-3-5-4(6)7/h7H,1-3H2,(H2,6,8);2,5H,1,3H2,(H,6,7).
What are the key properties of 4-hydroxy-2-methylidenebutanamide;prop-2-enylcarbamic acid?
4-hydroxy-2-methylidenebutanamide;prop-2-enylcarbamic acid has a molecular weight of 216.24 g/mol, XLogP of -0.15, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-methylidenebutanamide;prop-2-enylcarbamic acid is sourced from PubChem (CID 87552237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).