2-hydroxy-3-[[1-oxo-1-(prop-2-enylamino)propan-2-yl]amino]propanamide

C9H17N3O3 — CID 106174665

IUPAC2-hydroxy-3-[[1-oxo-1-(prop-2-enylamino)propan-2-yl]amino]propanamide
SMILESC=CCNC(=O)C(C)NCC(O)C(N)=O
InChIInChI=1S/C9H17N3O3/c1-3-4-11-9(15)6(2)12-5-7(13)8(10)14/h3,6-7,12-13H,1,4-5H2,2H3,(H2,10,14)(H,11,15)
InChIKeyUVKWQSBWJOCISK-UHFFFAOYSA-N
MW215.25 g/mol
LogP-1.89
Rot. Bonds7

About 2-hydroxy-3-[[1-oxo-1-(prop-2-enylamino)propan-2-yl]amino]propanamide

2-hydroxy-3-[[1-oxo-1-(prop-2-enylamino)propan-2-yl]amino]propanamide (PubChem CID 106174665) has the molecular formula C9H17N3O3 and a molecular weight of 215.25 g/mol. Its IUPAC name is 2-hydroxy-3-[[1-oxo-1-(prop-2-enylamino)propan-2-yl]amino]propanamide.

Molecular Properties

Compound Name2-hydroxy-3-[[1-oxo-1-(prop-2-enylamino)propan-2-yl]amino]propanamide
PubChem CID106174665
Molecular FormulaC9H17N3O3
Molecular Weight215.25 g/mol
Exact Mass215.13
IUPAC Name2-hydroxy-3-[[1-oxo-1-(prop-2-enylamino)propan-2-yl]amino]propanamide
SMILESC=CCNC(=O)C(C)NCC(O)C(N)=O
InChIInChI=1S/C9H17N3O3/c1-3-4-11-9(15)6(2)12-5-7(13)8(10)14/h3,6-7,12-13H,1,4-5H2,2H3,(H2,10,14)(H,11,15)
InChIKeyUVKWQSBWJOCISK-UHFFFAOYSA-N
XLogP-1.89
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 5-1.89
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-(2-methoxypropylamino)-N-prop-2-enylpropanamide
CID 102697960
3-[[1-(cyclopropylamino)-1-oxopropan-2-yl]amino]-2-hydroxypropanamide
CID 106174838
ethyl 2-[[1-oxo-1-(prop-2-enylamino)propan-2-yl]amino]acetate
CID 60811246
2,3-dihydroxy-N-prop-2-enylpropanamide
CID 87997467
(2S)-2-chloro-N-prop-2-enylpropanamide
CID 14203945
2-[3-(diethylamino)propylamino]-N-prop-2-enylpropanamide
CID 43087344
3-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]-2-hydroxypropanamide
CID 106174475
2-methyl-N-prop-2-enylpropanamide;dihydrochloride
CID 174572104
2-hydroxy-N,N'-bis(prop-2-enyl)propanediamide
CID 59934483
2-(cyclohexylmethylamino)-N-prop-2-enylpropanamide
CID 43216208
2-methyl-N-prop-2-enylbutanamide
CID 20811204
(2R)-2-methyl-N-prop-2-enylbutanamide
CID 55303611

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-[[1-oxo-1-(prop-2-enylamino)propan-2-yl]amino]propanamide?
The IUPAC name of 2-hydroxy-3-[[1-oxo-1-(prop-2-enylamino)propan-2-yl]amino]propanamide (CID 106174665) is 2-hydroxy-3-[[1-oxo-1-(prop-2-enylamino)propan-2-yl]amino]propanamide.
What is the SMILES notation for 2-hydroxy-3-[[1-oxo-1-(prop-2-enylamino)propan-2-yl]amino]propanamide?
The canonical SMILES for 2-hydroxy-3-[[1-oxo-1-(prop-2-enylamino)propan-2-yl]amino]propanamide is C=CCNC(=O)C(C)NCC(O)C(N)=O.
What is the InChIKey of 2-hydroxy-3-[[1-oxo-1-(prop-2-enylamino)propan-2-yl]amino]propanamide?
The InChIKey is UVKWQSBWJOCISK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O3/c1-3-4-11-9(15)6(2)12-5-7(13)8(10)14/h3,6-7,12-13H,1,4-5H2,2H3,(H2,10,14)(H,11,15).
What are the key properties of 2-hydroxy-3-[[1-oxo-1-(prop-2-enylamino)propan-2-yl]amino]propanamide?
2-hydroxy-3-[[1-oxo-1-(prop-2-enylamino)propan-2-yl]amino]propanamide has a molecular weight of 215.25 g/mol, XLogP of -1.89, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-[[1-oxo-1-(prop-2-enylamino)propan-2-yl]amino]propanamide is sourced from PubChem (CID 106174665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).