3-[(4-amino-4-hydroxyiminobutan-2-yl)amino]-N-cyclopropylpropanamide

C10H20N4O2 — CID 79400718

IUPAC3-[(4-amino-4-hydroxyiminobutan-2-yl)amino]-N-cyclopropylpropanamide
SMILESCC(CC(N)=NO)NCCC(=O)NC1CC1
InChIInChI=1S/C10H20N4O2/c1-7(6-9(11)14-16)12-5-4-10(15)13-8-2-3-8/h7-8,12,16H,2-6H2,1H3,(H2,11,14)(H,13,15)
InChIKeyVQRAXLXVVFRBQI-UHFFFAOYSA-N
MW228.30 g/mol
LogP-0.23
Rot. Bonds7

About 3-[(4-amino-4-hydroxyiminobutan-2-yl)amino]-N-cyclopropylpropanamide

3-[(4-amino-4-hydroxyiminobutan-2-yl)amino]-N-cyclopropylpropanamide (PubChem CID 79400718) has the molecular formula C10H20N4O2 and a molecular weight of 228.30 g/mol. Its IUPAC name is 3-[(4-amino-4-hydroxyiminobutan-2-yl)amino]-N-cyclopropylpropanamide.

Molecular Properties

Compound Name3-[(4-amino-4-hydroxyiminobutan-2-yl)amino]-N-cyclopropylpropanamide
PubChem CID79400718
Molecular FormulaC10H20N4O2
Molecular Weight228.30 g/mol
Exact Mass228.16
IUPAC Name3-[(4-amino-4-hydroxyiminobutan-2-yl)amino]-N-cyclopropylpropanamide
SMILESCC(CC(N)=NO)NCCC(=O)NC1CC1
InChIInChI=1S/C10H20N4O2/c1-7(6-9(11)14-16)12-5-4-10(15)13-8-2-3-8/h7-8,12,16H,2-6H2,1H3,(H2,11,14)(H,13,15)
InChIKeyVQRAXLXVVFRBQI-UHFFFAOYSA-N
XLogP-0.23
TPSA99.74 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 5-0.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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

3-[(3-amino-3-hydroxyiminopropyl)amino]-N-cyclopropylpropanamide
CID 79401711
2-[(1-amino-1-hydroxyiminopropan-2-yl)amino]-N-cyclopropylacetamide
CID 77029214
N-cyclopropyl-2-[[3-(cyclopropylamino)-3-oxopropyl]amino]propanamide
CID 79394773
2-[(4-amino-4-hydroxyiminobutan-2-yl)amino]ethylurea
CID 83121441
2-[(4-amino-4-hydroxyiminobutan-2-yl)amino]acetamide
CID 77027473
N-(3-methylcyclopentyl)-3-(propan-2-ylamino)propanamide
CID 114546265
tert-butyl N-[2-[[3-(cyclopropylamino)-3-oxopropyl]amino]propyl]carbamate
CID 103390326
3-(1-cyclopropylpropan-2-ylamino)-N'-hydroxypropanimidamide
CID 77028692
N-cyclopropyl-4-[3-(propan-2-ylamino)propanoylamino]butanamide
CID 79401446
N-cyclopropyl-3-(2-methylpropylamino)propanamide
CID 62626467
3-[[(1S)-1-cyclohexylethyl]amino]-N'-hydroxybutanimidamide
CID 81386366
N-(4-amino-4-hydroxyiminobutan-2-yl)-2-cyclobutylacetamide
CID 103166128

Frequently Asked Questions

What is the IUPAC name of 3-[(4-amino-4-hydroxyiminobutan-2-yl)amino]-N-cyclopropylpropanamide?
The IUPAC name of 3-[(4-amino-4-hydroxyiminobutan-2-yl)amino]-N-cyclopropylpropanamide (CID 79400718) is 3-[(4-amino-4-hydroxyiminobutan-2-yl)amino]-N-cyclopropylpropanamide.
What is the SMILES notation for 3-[(4-amino-4-hydroxyiminobutan-2-yl)amino]-N-cyclopropylpropanamide?
The canonical SMILES for 3-[(4-amino-4-hydroxyiminobutan-2-yl)amino]-N-cyclopropylpropanamide is CC(CC(N)=NO)NCCC(=O)NC1CC1.
What is the InChIKey of 3-[(4-amino-4-hydroxyiminobutan-2-yl)amino]-N-cyclopropylpropanamide?
The InChIKey is VQRAXLXVVFRBQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O2/c1-7(6-9(11)14-16)12-5-4-10(15)13-8-2-3-8/h7-8,12,16H,2-6H2,1H3,(H2,11,14)(H,13,15).
What are the key properties of 3-[(4-amino-4-hydroxyiminobutan-2-yl)amino]-N-cyclopropylpropanamide?
3-[(4-amino-4-hydroxyiminobutan-2-yl)amino]-N-cyclopropylpropanamide has a molecular weight of 228.30 g/mol, XLogP of -0.23, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-amino-4-hydroxyiminobutan-2-yl)amino]-N-cyclopropylpropanamide is sourced from PubChem (CID 79400718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).