3-amino-N-cyclopropyl-3-hydroxyimino-2-methylpropanamide

C7H13N3O2 — CID 76925873

IUPAC3-amino-N-cyclopropyl-3-hydroxyimino-2-methylpropanamide
SMILESCC(C(=O)NC1CC1)C(N)=NO
InChIInChI=1S/C7H13N3O2/c1-4(6(8)10-12)7(11)9-5-2-3-5/h4-5,12H,2-3H2,1H3,(H2,8,10)(H,9,11)
InChIKeyCRHWBOZRRIMQRJ-UHFFFAOYSA-N
MW171.20 g/mol
LogP-0.35
Rot. Bonds3

About 3-amino-N-cyclopropyl-3-hydroxyimino-2-methylpropanamide

3-amino-N-cyclopropyl-3-hydroxyimino-2-methylpropanamide (PubChem CID 76925873) has the molecular formula C7H13N3O2 and a molecular weight of 171.20 g/mol. Its IUPAC name is 3-amino-N-cyclopropyl-3-hydroxyimino-2-methylpropanamide.

Molecular Properties

Compound Name3-amino-N-cyclopropyl-3-hydroxyimino-2-methylpropanamide
PubChem CID76925873
Molecular FormulaC7H13N3O2
Molecular Weight171.20 g/mol
Exact Mass171.10
IUPAC Name3-amino-N-cyclopropyl-3-hydroxyimino-2-methylpropanamide
SMILESCC(C(=O)NC1CC1)C(N)=NO
InChIInChI=1S/C7H13N3O2/c1-4(6(8)10-12)7(11)9-5-2-3-5/h4-5,12H,2-3H2,1H3,(H2,8,10)(H,9,11)
InChIKeyCRHWBOZRRIMQRJ-UHFFFAOYSA-N
XLogP-0.35
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 5-0.35
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

3-amino-3-hydroxyimino-2-methyl-N-(3-methylcyclobutyl)propanamide
CID 104861590
2-(N'-hydroxycarbamimidoyl)-3-methyl-N-(4-methylcyclohexyl)butanamide
CID 76924598
3-amino-N-(2,2-dimethylcyclopropyl)-3-hydroxyimino-2-methylpropanamide
CID 76928487
N-cyclopropyl-2-(N'-hydroxycarbamimidoyl)butanamide
CID 76925874
2-(N'-hydroxycarbamimidoyl)-N-(4-methylcyclohexyl)butanamide
CID 76924596
N-cyclohexyl-2-(N'-hydroxycarbamimidoyl)-3-methylbutanamide
CID 76925273
3-amino-N-(cyclopentylmethyl)-3-hydroxyimino-2-methylpropanamide
CID 76925491
2-[(1-amino-1-hydroxyiminopropan-2-yl)amino]-N-cyclopropylacetamide
CID 77029214
2-(N'-hydroxycarbamimidoyl)-N-(4-hydroxycyclohexyl)butanamide
CID 76925140
3-amino-3-hydroxyimino-2-methyl-N-(thian-4-ylmethyl)propanamide
CID 104866186
3-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-3-hydroxyimino-2-methylpropanamide
CID 76979808
1-(1-amino-1-hydroxyiminobutan-2-yl)-3-cyclopropylurea
CID 76954547

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-cyclopropyl-3-hydroxyimino-2-methylpropanamide?
The IUPAC name of 3-amino-N-cyclopropyl-3-hydroxyimino-2-methylpropanamide (CID 76925873) is 3-amino-N-cyclopropyl-3-hydroxyimino-2-methylpropanamide.
What is the SMILES notation for 3-amino-N-cyclopropyl-3-hydroxyimino-2-methylpropanamide?
The canonical SMILES for 3-amino-N-cyclopropyl-3-hydroxyimino-2-methylpropanamide is CC(C(=O)NC1CC1)C(N)=NO.
What is the InChIKey of 3-amino-N-cyclopropyl-3-hydroxyimino-2-methylpropanamide?
The InChIKey is CRHWBOZRRIMQRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O2/c1-4(6(8)10-12)7(11)9-5-2-3-5/h4-5,12H,2-3H2,1H3,(H2,8,10)(H,9,11).
What are the key properties of 3-amino-N-cyclopropyl-3-hydroxyimino-2-methylpropanamide?
3-amino-N-cyclopropyl-3-hydroxyimino-2-methylpropanamide has a molecular weight of 171.20 g/mol, XLogP of -0.35, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-cyclopropyl-3-hydroxyimino-2-methylpropanamide is sourced from PubChem (CID 76925873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).