3-amino-N-(2-hydroxycyclohexyl)-3-hydroxyimino-2-methylpropanamide

C10H19N3O3 — CID 76941455

IUPAC3-amino-N-(2-hydroxycyclohexyl)-3-hydroxyimino-2-methylpropanamide
SMILESCC(C(=O)NC1CCCCC1O)C(N)=NO
InChIInChI=1S/C10H19N3O3/c1-6(9(11)13-16)10(15)12-7-4-2-3-5-8(7)14/h6-8,14,16H,2-5H2,1H3,(H2,11,13)(H,12,15)
InChIKeyUVJNDKGZIQKVQH-UHFFFAOYSA-N
MW229.28 g/mol
LogP-0.21
Rot. Bonds3

About 3-amino-N-(2-hydroxycyclohexyl)-3-hydroxyimino-2-methylpropanamide

3-amino-N-(2-hydroxycyclohexyl)-3-hydroxyimino-2-methylpropanamide (PubChem CID 76941455) has the molecular formula C10H19N3O3 and a molecular weight of 229.28 g/mol. Its IUPAC name is 3-amino-N-(2-hydroxycyclohexyl)-3-hydroxyimino-2-methylpropanamide.

Molecular Properties

Compound Name3-amino-N-(2-hydroxycyclohexyl)-3-hydroxyimino-2-methylpropanamide
PubChem CID76941455
Molecular FormulaC10H19N3O3
Molecular Weight229.28 g/mol
Exact Mass229.14
IUPAC Name3-amino-N-(2-hydroxycyclohexyl)-3-hydroxyimino-2-methylpropanamide
SMILESCC(C(=O)NC1CCCCC1O)C(N)=NO
InChIInChI=1S/C10H19N3O3/c1-6(9(11)13-16)10(15)12-7-4-2-3-5-8(7)14/h6-8,14,16H,2-5H2,1H3,(H2,11,13)(H,12,15)
InChIKeyUVJNDKGZIQKVQH-UHFFFAOYSA-N
XLogP-0.21
TPSA107.94 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 5-0.21
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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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-hydroxycyclohexyl)-3-hydroxyimino-2-methylpropanamide?
The IUPAC name of 3-amino-N-(2-hydroxycyclohexyl)-3-hydroxyimino-2-methylpropanamide (CID 76941455) is 3-amino-N-(2-hydroxycyclohexyl)-3-hydroxyimino-2-methylpropanamide.
What is the SMILES notation for 3-amino-N-(2-hydroxycyclohexyl)-3-hydroxyimino-2-methylpropanamide?
The canonical SMILES for 3-amino-N-(2-hydroxycyclohexyl)-3-hydroxyimino-2-methylpropanamide is CC(C(=O)NC1CCCCC1O)C(N)=NO.
What is the InChIKey of 3-amino-N-(2-hydroxycyclohexyl)-3-hydroxyimino-2-methylpropanamide?
The InChIKey is UVJNDKGZIQKVQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O3/c1-6(9(11)13-16)10(15)12-7-4-2-3-5-8(7)14/h6-8,14,16H,2-5H2,1H3,(H2,11,13)(H,12,15).
What are the key properties of 3-amino-N-(2-hydroxycyclohexyl)-3-hydroxyimino-2-methylpropanamide?
3-amino-N-(2-hydroxycyclohexyl)-3-hydroxyimino-2-methylpropanamide has a molecular weight of 229.28 g/mol, XLogP of -0.21, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-hydroxycyclohexyl)-3-hydroxyimino-2-methylpropanamide is sourced from PubChem (CID 76941455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).