N-(1-amino-1-hydroxyiminopropan-2-yl)-2-methylpropanamide

C7H15N3O2 — CID 61134880

IUPACN-(1-amino-1-hydroxyiminopropan-2-yl)-2-methylpropanamide
SMILESCC(C)C(=O)NC(C)C(N)=NO
InChIInChI=1S/C7H15N3O2/c1-4(2)7(11)9-5(3)6(8)10-12/h4-5,12H,1-3H3,(H2,8,10)(H,9,11)
InChIKeyWQMHIDXGMQCKGB-UHFFFAOYSA-N
MW173.22 g/mol
LogP-0.11
Rot. Bonds3

About N-(1-amino-1-hydroxyiminopropan-2-yl)-2-methylpropanamide

N-(1-amino-1-hydroxyiminopropan-2-yl)-2-methylpropanamide (PubChem CID 61134880) has the molecular formula C7H15N3O2 and a molecular weight of 173.22 g/mol. Its IUPAC name is N-(1-amino-1-hydroxyiminopropan-2-yl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(1-amino-1-hydroxyiminopropan-2-yl)-2-methylpropanamide
PubChem CID61134880
Molecular FormulaC7H15N3O2
Molecular Weight173.22 g/mol
Exact Mass173.12
IUPAC NameN-(1-amino-1-hydroxyiminopropan-2-yl)-2-methylpropanamide
SMILESCC(C)C(=O)NC(C)C(N)=NO
InChIInChI=1S/C7H15N3O2/c1-4(2)7(11)9-5(3)6(8)10-12/h4-5,12H,1-3H3,(H2,8,10)(H,9,11)
InChIKeyWQMHIDXGMQCKGB-UHFFFAOYSA-N
XLogP-0.11
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 5-0.11
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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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1-hydroxyiminopropan-2-yl)-2-methylpropanamide?
The IUPAC name of N-(1-amino-1-hydroxyiminopropan-2-yl)-2-methylpropanamide (CID 61134880) is N-(1-amino-1-hydroxyiminopropan-2-yl)-2-methylpropanamide.
What is the SMILES notation for N-(1-amino-1-hydroxyiminopropan-2-yl)-2-methylpropanamide?
The canonical SMILES for N-(1-amino-1-hydroxyiminopropan-2-yl)-2-methylpropanamide is CC(C)C(=O)NC(C)C(N)=NO.
What is the InChIKey of N-(1-amino-1-hydroxyiminopropan-2-yl)-2-methylpropanamide?
The InChIKey is WQMHIDXGMQCKGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O2/c1-4(2)7(11)9-5(3)6(8)10-12/h4-5,12H,1-3H3,(H2,8,10)(H,9,11).
What are the key properties of N-(1-amino-1-hydroxyiminopropan-2-yl)-2-methylpropanamide?
N-(1-amino-1-hydroxyiminopropan-2-yl)-2-methylpropanamide has a molecular weight of 173.22 g/mol, XLogP of -0.11, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-1-hydroxyiminopropan-2-yl)-2-methylpropanamide is sourced from PubChem (CID 61134880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).