N-(4-amino-4-hydroxyiminobutan-2-yl)propanamide

C7H15N3O2 — CID 76934536

IUPACN-(4-amino-4-hydroxyiminobutan-2-yl)propanamide
SMILESCCC(=O)NC(C)CC(N)=NO
InChIInChI=1S/C7H15N3O2/c1-3-7(11)9-5(2)4-6(8)10-12/h5,12H,3-4H2,1-2H3,(H2,8,10)(H,9,11)
InChIKeyJSGDNKHOVPFUCH-UHFFFAOYSA-N
MW173.22 g/mol
LogP0.04
Rot. Bonds4

About N-(4-amino-4-hydroxyiminobutan-2-yl)propanamide

N-(4-amino-4-hydroxyiminobutan-2-yl)propanamide (PubChem CID 76934536) has the molecular formula C7H15N3O2 and a molecular weight of 173.22 g/mol. Its IUPAC name is N-(4-amino-4-hydroxyiminobutan-2-yl)propanamide.

Molecular Properties

Compound NameN-(4-amino-4-hydroxyiminobutan-2-yl)propanamide
PubChem CID76934536
Molecular FormulaC7H15N3O2
Molecular Weight173.22 g/mol
Exact Mass173.12
IUPAC NameN-(4-amino-4-hydroxyiminobutan-2-yl)propanamide
SMILESCCC(=O)NC(C)CC(N)=NO
InChIInChI=1S/C7H15N3O2/c1-3-7(11)9-5(2)4-6(8)10-12/h5,12H,3-4H2,1-2H3,(H2,8,10)(H,9,11)
InChIKeyJSGDNKHOVPFUCH-UHFFFAOYSA-N
XLogP0.04
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

N-(4-amino-4-hydroxyiminobutan-2-yl)dodecanamide
CID 77069082
N-(4-amino-4-hydroxyiminobutan-2-yl)-2-ethylbutanamide
CID 76934679
3-[(3-amino-3-hydroxyiminopropanoyl)amino]butanamide
CID 104870493
N-(4-amino-4-hydroxyiminobutan-2-yl)-2-cyclobutylacetamide
CID 103166128
N-[(4Z)-4-amino-4-hydroxyiminobutan-2-yl]-2-cyclohexylacetamide
CID 55033618
tert-butyl N-[(2R,4Z)-4-amino-4-hydroxyiminobutan-2-yl]carbamate
CID 94527750
2-[(4-amino-4-hydroxyiminobutan-2-yl)amino]acetamide
CID 77027473
N-(4-amino-4-hydroxyiminobutan-2-yl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 76935917
1-(4-amino-4-hydroxyiminobutan-2-yl)-3-(2,2,2-trifluoroethyl)urea
CID 104858950
(3Z)-3-amino-3-hydroxyimino-N-(1-pyrazol-1-ylpropan-2-yl)propanamide
CID 109374296
2-[(4-amino-4-hydroxyiminobutan-2-yl)amino]ethylurea
CID 83121441
N-(4-amino-4-hydroxyiminobutan-2-yl)-2,4,6-trifluorobenzamide
CID 77056022

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-4-hydroxyiminobutan-2-yl)propanamide?
The IUPAC name of N-(4-amino-4-hydroxyiminobutan-2-yl)propanamide (CID 76934536) is N-(4-amino-4-hydroxyiminobutan-2-yl)propanamide.
What is the SMILES notation for N-(4-amino-4-hydroxyiminobutan-2-yl)propanamide?
The canonical SMILES for N-(4-amino-4-hydroxyiminobutan-2-yl)propanamide is CCC(=O)NC(C)CC(N)=NO.
What is the InChIKey of N-(4-amino-4-hydroxyiminobutan-2-yl)propanamide?
The InChIKey is JSGDNKHOVPFUCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O2/c1-3-7(11)9-5(2)4-6(8)10-12/h5,12H,3-4H2,1-2H3,(H2,8,10)(H,9,11).
What are the key properties of N-(4-amino-4-hydroxyiminobutan-2-yl)propanamide?
N-(4-amino-4-hydroxyiminobutan-2-yl)propanamide has a molecular weight of 173.22 g/mol, XLogP of 0.04, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-4-hydroxyiminobutan-2-yl)propanamide is sourced from PubChem (CID 76934536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).