2,3-dihydroxy-N',2-bis(prop-2-enyl)butanediamide

C10H16N2O4 — CID 156904179

IUPAC2,3-dihydroxy-N',2-bis(prop-2-enyl)butanediamide
SMILESC=CCNC(=O)C(O)C(O)(CC=C)C(N)=O
InChIInChI=1S/C10H16N2O4/c1-3-5-10(16,9(11)15)7(13)8(14)12-6-4-2/h3-4,7,13,16H,1-2,5-6H2,(H2,11,15)(H,12,14)
InChIKeyOLLRRHOWCXAHIY-UHFFFAOYSA-N
MW228.25 g/mol
LogP-1.56
Rot. Bonds7

About 2,3-dihydroxy-N',2-bis(prop-2-enyl)butanediamide

2,3-dihydroxy-N',2-bis(prop-2-enyl)butanediamide (PubChem CID 156904179) has the molecular formula C10H16N2O4 and a molecular weight of 228.25 g/mol. Its IUPAC name is 2,3-dihydroxy-N',2-bis(prop-2-enyl)butanediamide.

Molecular Properties

Compound Name2,3-dihydroxy-N',2-bis(prop-2-enyl)butanediamide
PubChem CID156904179
Molecular FormulaC10H16N2O4
Molecular Weight228.25 g/mol
Exact Mass228.11
IUPAC Name2,3-dihydroxy-N',2-bis(prop-2-enyl)butanediamide
SMILESC=CCNC(=O)C(O)C(O)(CC=C)C(N)=O
InChIInChI=1S/C10H16N2O4/c1-3-5-10(16,9(11)15)7(13)8(14)12-6-4-2/h3-4,7,13,16H,1-2,5-6H2,(H2,11,15)(H,12,14)
InChIKeyOLLRRHOWCXAHIY-UHFFFAOYSA-N
XLogP-1.56
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 5-1.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,3-dihydroxy-2-prop-2-enylbutanediamide
CID 140977246
2-hydroxy-N,N'-bis(prop-2-enyl)propanediamide
CID 59934483
2,3-dihydroxy-N-prop-2-enylpropanamide
CID 87997467
2-methyl-N-prop-2-enylpropanamide;dihydrochloride
CID 174572104
2-hydroxy-3-[[1-oxo-1-(prop-2-enylamino)propan-2-yl]amino]propanamide
CID 106174665
2-(carbamoylamino)-3-methyl-N-prop-2-enylbutanamide
CID 60636446
2-methyl-N-prop-2-enylbutanamide
CID 20811204
(2R)-2-methyl-N-prop-2-enylbutanamide
CID 55303611
(2S)-2-chloro-N-prop-2-enylpropanamide
CID 14203945
2-amino-2-cyclopropyl-N-prop-2-enylacetamide
CID 131227797
2-methoxy-N-prop-2-enylpropanamide
CID 100983783
3-amino-2-hydroxy-N-prop-2-enylhexanamide;hydrochloride
CID 139291083

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxy-N',2-bis(prop-2-enyl)butanediamide?
The IUPAC name of 2,3-dihydroxy-N',2-bis(prop-2-enyl)butanediamide (CID 156904179) is 2,3-dihydroxy-N',2-bis(prop-2-enyl)butanediamide.
What is the SMILES notation for 2,3-dihydroxy-N',2-bis(prop-2-enyl)butanediamide?
The canonical SMILES for 2,3-dihydroxy-N',2-bis(prop-2-enyl)butanediamide is C=CCNC(=O)C(O)C(O)(CC=C)C(N)=O.
What is the InChIKey of 2,3-dihydroxy-N',2-bis(prop-2-enyl)butanediamide?
The InChIKey is OLLRRHOWCXAHIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4/c1-3-5-10(16,9(11)15)7(13)8(14)12-6-4-2/h3-4,7,13,16H,1-2,5-6H2,(H2,11,15)(H,12,14).
What are the key properties of 2,3-dihydroxy-N',2-bis(prop-2-enyl)butanediamide?
2,3-dihydroxy-N',2-bis(prop-2-enyl)butanediamide has a molecular weight of 228.25 g/mol, XLogP of -1.56, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxy-N',2-bis(prop-2-enyl)butanediamide is sourced from PubChem (CID 156904179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).