3-[(2-amino-2-hydroxyiminoethyl)amino]-N-butan-2-ylpropanamide

C9H20N4O2 — CID 77030584

IUPAC3-[(2-amino-2-hydroxyiminoethyl)amino]-N-butan-2-ylpropanamide
SMILESCCC(C)NC(=O)CCNCC(N)=NO
InChIInChI=1S/C9H20N4O2/c1-3-7(2)12-9(14)4-5-11-6-8(10)13-15/h7,11,15H,3-6H2,1-2H3,(H2,10,13)(H,12,14)
InChIKeyAWSZEMLPLKGLIA-UHFFFAOYSA-N
MW216.28 g/mol
LogP-0.37
Rot. Bonds7

About 3-[(2-amino-2-hydroxyiminoethyl)amino]-N-butan-2-ylpropanamide

3-[(2-amino-2-hydroxyiminoethyl)amino]-N-butan-2-ylpropanamide (PubChem CID 77030584) has the molecular formula C9H20N4O2 and a molecular weight of 216.28 g/mol. Its IUPAC name is 3-[(2-amino-2-hydroxyiminoethyl)amino]-N-butan-2-ylpropanamide.

Molecular Properties

Compound Name3-[(2-amino-2-hydroxyiminoethyl)amino]-N-butan-2-ylpropanamide
PubChem CID77030584
Molecular FormulaC9H20N4O2
Molecular Weight216.28 g/mol
Exact Mass216.16
IUPAC Name3-[(2-amino-2-hydroxyiminoethyl)amino]-N-butan-2-ylpropanamide
SMILESCCC(C)NC(=O)CCNCC(N)=NO
InChIInChI=1S/C9H20N4O2/c1-3-7(2)12-9(14)4-5-11-6-8(10)13-15/h7,11,15H,3-6H2,1-2H3,(H2,10,13)(H,12,14)
InChIKeyAWSZEMLPLKGLIA-UHFFFAOYSA-N
XLogP-0.37
TPSA99.74 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 5-0.37
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

3-[(5-amino-5-hydroxyiminopentyl)amino]-N-butan-2-ylpropanamide
CID 77028307
3-[(3-amino-3-hydroxyimino-2-methylpropyl)amino]-N-butan-2-ylpropanamide
CID 77028304
2-amino-3-[[3-(butan-2-ylamino)-3-oxopropyl]amino]propanamide
CID 103241874
2-[[3-(butan-2-ylamino)-3-oxopropyl]amino]butanamide
CID 62899086
N-butan-2-yl-3-(2-ethylsulfonylethylamino)propanamide
CID 54901013
3-amino-N-butan-2-ylpropanamide
CID 16784988
N-butan-2-yl-3-(2,3-dihydroxypropylamino)propanamide
CID 76892935
N-butan-2-yl-3-(3-methylbut-2-enylamino)propanamide
CID 103817602
N'-hydroxy-2-(propylamino)ethanimidamide
CID 60711995
N-(4-amino-4-hydroxyiminobutan-2-yl)propanamide
CID 76934536
N-butan-2-yl-2-[2-(dimethylamino)ethylamino]acetamide
CID 43180189
2-amino-N-[3-(butan-2-ylamino)-3-oxopropyl]propanamide;hydrochloride
CID 119297115

Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-2-hydroxyiminoethyl)amino]-N-butan-2-ylpropanamide?
The IUPAC name of 3-[(2-amino-2-hydroxyiminoethyl)amino]-N-butan-2-ylpropanamide (CID 77030584) is 3-[(2-amino-2-hydroxyiminoethyl)amino]-N-butan-2-ylpropanamide.
What is the SMILES notation for 3-[(2-amino-2-hydroxyiminoethyl)amino]-N-butan-2-ylpropanamide?
The canonical SMILES for 3-[(2-amino-2-hydroxyiminoethyl)amino]-N-butan-2-ylpropanamide is CCC(C)NC(=O)CCNCC(N)=NO.
What is the InChIKey of 3-[(2-amino-2-hydroxyiminoethyl)amino]-N-butan-2-ylpropanamide?
The InChIKey is AWSZEMLPLKGLIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N4O2/c1-3-7(2)12-9(14)4-5-11-6-8(10)13-15/h7,11,15H,3-6H2,1-2H3,(H2,10,13)(H,12,14).
What are the key properties of 3-[(2-amino-2-hydroxyiminoethyl)amino]-N-butan-2-ylpropanamide?
3-[(2-amino-2-hydroxyiminoethyl)amino]-N-butan-2-ylpropanamide has a molecular weight of 216.28 g/mol, XLogP of -0.37, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-amino-2-hydroxyiminoethyl)amino]-N-butan-2-ylpropanamide is sourced from PubChem (CID 77030584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).