2-hydroxy-3-(prop-2-enoylamino)-N-prop-2-enylpropanamide

C9H14N2O3 — CID 147004799

IUPAC2-hydroxy-3-(prop-2-enoylamino)-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(O)CNC(=O)C=C
InChIInChI=1S/C9H14N2O3/c1-3-5-10-9(14)7(12)6-11-8(13)4-2/h3-4,7,12H,1-2,5-6H2,(H,10,14)(H,11,13)
InChIKeyASSQWYZKENIWBT-UHFFFAOYSA-N
MW198.22 g/mol
LogP-1.05
Rot. Bonds6

About 2-hydroxy-3-(prop-2-enoylamino)-N-prop-2-enylpropanamide

2-hydroxy-3-(prop-2-enoylamino)-N-prop-2-enylpropanamide (PubChem CID 147004799) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is 2-hydroxy-3-(prop-2-enoylamino)-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name2-hydroxy-3-(prop-2-enoylamino)-N-prop-2-enylpropanamide
PubChem CID147004799
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Name2-hydroxy-3-(prop-2-enoylamino)-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(O)CNC(=O)C=C
InChIInChI=1S/C9H14N2O3/c1-3-5-10-9(14)7(12)6-11-8(13)4-2/h3-4,7,12H,1-2,5-6H2,(H,10,14)(H,11,13)
InChIKeyASSQWYZKENIWBT-UHFFFAOYSA-N
XLogP-1.05
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 5-1.05
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-(prop-2-enoylamino)-N-prop-2-enylpropanamide?
The IUPAC name of 2-hydroxy-3-(prop-2-enoylamino)-N-prop-2-enylpropanamide (CID 147004799) is 2-hydroxy-3-(prop-2-enoylamino)-N-prop-2-enylpropanamide.
What is the SMILES notation for 2-hydroxy-3-(prop-2-enoylamino)-N-prop-2-enylpropanamide?
The canonical SMILES for 2-hydroxy-3-(prop-2-enoylamino)-N-prop-2-enylpropanamide is C=CCNC(=O)C(O)CNC(=O)C=C.
What is the InChIKey of 2-hydroxy-3-(prop-2-enoylamino)-N-prop-2-enylpropanamide?
The InChIKey is ASSQWYZKENIWBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3/c1-3-5-10-9(14)7(12)6-11-8(13)4-2/h3-4,7,12H,1-2,5-6H2,(H,10,14)(H,11,13).
What are the key properties of 2-hydroxy-3-(prop-2-enoylamino)-N-prop-2-enylpropanamide?
2-hydroxy-3-(prop-2-enoylamino)-N-prop-2-enylpropanamide has a molecular weight of 198.22 g/mol, XLogP of -1.05, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-(prop-2-enoylamino)-N-prop-2-enylpropanamide is sourced from PubChem (CID 147004799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).