3-[(3-amino-3-hydroxyiminopropyl)amino]-N-cyclopropylpropanamide

C9H18N4O2 — CID 79401711

IUPAC3-[(3-amino-3-hydroxyiminopropyl)amino]-N-cyclopropylpropanamide
SMILESNC(CCNCCC(=O)NC1CC1)=NO
InChIInChI=1S/C9H18N4O2/c10-8(13-15)3-5-11-6-4-9(14)12-7-1-2-7/h7,11,15H,1-6H2,(H2,10,13)(H,12,14)
InChIKeyGWHUEFLEFKPTON-UHFFFAOYSA-N
MW214.27 g/mol
LogP-0.62
Rot. Bonds7

About 3-[(3-amino-3-hydroxyiminopropyl)amino]-N-cyclopropylpropanamide

3-[(3-amino-3-hydroxyiminopropyl)amino]-N-cyclopropylpropanamide (PubChem CID 79401711) has the molecular formula C9H18N4O2 and a molecular weight of 214.27 g/mol. Its IUPAC name is 3-[(3-amino-3-hydroxyiminopropyl)amino]-N-cyclopropylpropanamide.

Molecular Properties

Compound Name3-[(3-amino-3-hydroxyiminopropyl)amino]-N-cyclopropylpropanamide
PubChem CID79401711
Molecular FormulaC9H18N4O2
Molecular Weight214.27 g/mol
Exact Mass214.14
IUPAC Name3-[(3-amino-3-hydroxyiminopropyl)amino]-N-cyclopropylpropanamide
SMILESNC(CCNCCC(=O)NC1CC1)=NO
InChIInChI=1S/C9H18N4O2/c10-8(13-15)3-5-11-6-4-9(14)12-7-1-2-7/h7,11,15H,1-6H2,(H2,10,13)(H,12,14)
InChIKeyGWHUEFLEFKPTON-UHFFFAOYSA-N
XLogP-0.62
TPSA99.74 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 5-0.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-3-[[3-(cyclopropylamino)-3-oxopropyl]amino]propanamide
CID 79394765
3-[(4-amino-4-hydroxyiminobutan-2-yl)amino]-N-cyclopropylpropanamide
CID 79400718
4-[(3-amino-3-oxopropyl)amino]-N-cyclopropylbutanamide
CID 79394455
1-(5-amino-5-hydroxyiminopentyl)-3-cyclopropylurea
CID 77036914
N-cyclopropyl-3-[[4-(N'-hydroxycarbamimidoyl)phenyl]methylamino]propanamide
CID 79401252
(3Z)-3-amino-N-cyclobutyl-3-hydroxyiminopropanamide
CID 62415405
N-cyclopropyl-3-(2-methylsulfanylethylamino)propanamide
CID 62352584
N,N'-dicyclopropylbutanediamide
CID 5225156
(3Z)-3-amino-N-cyclooctyl-3-hydroxyiminopropanamide
CID 43156049
N-cyclopropyl-3-(octylamino)propanamide
CID 79393740
N-cyclopropyl-4-[[3-(methylamino)-3-oxopropyl]amino]butanamide
CID 79394133
3-(cyanomethylamino)-N-cyclopropylpropanamide
CID 79394850

Frequently Asked Questions

What is the IUPAC name of 3-[(3-amino-3-hydroxyiminopropyl)amino]-N-cyclopropylpropanamide?
The IUPAC name of 3-[(3-amino-3-hydroxyiminopropyl)amino]-N-cyclopropylpropanamide (CID 79401711) is 3-[(3-amino-3-hydroxyiminopropyl)amino]-N-cyclopropylpropanamide.
What is the SMILES notation for 3-[(3-amino-3-hydroxyiminopropyl)amino]-N-cyclopropylpropanamide?
The canonical SMILES for 3-[(3-amino-3-hydroxyiminopropyl)amino]-N-cyclopropylpropanamide is NC(CCNCCC(=O)NC1CC1)=NO.
What is the InChIKey of 3-[(3-amino-3-hydroxyiminopropyl)amino]-N-cyclopropylpropanamide?
The InChIKey is GWHUEFLEFKPTON-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O2/c10-8(13-15)3-5-11-6-4-9(14)12-7-1-2-7/h7,11,15H,1-6H2,(H2,10,13)(H,12,14).
What are the key properties of 3-[(3-amino-3-hydroxyiminopropyl)amino]-N-cyclopropylpropanamide?
3-[(3-amino-3-hydroxyiminopropyl)amino]-N-cyclopropylpropanamide has a molecular weight of 214.27 g/mol, XLogP of -0.62, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-amino-3-hydroxyiminopropyl)amino]-N-cyclopropylpropanamide is sourced from PubChem (CID 79401711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).