3-amino-3-hydroxyimino-N-(2-hydroxypropyl)-N,2-dimethylpropanamide

C8H17N3O3 — CID 76940125

IUPAC3-amino-3-hydroxyimino-N-(2-hydroxypropyl)-N,2-dimethylpropanamide
SMILESCC(O)CN(C)C(=O)C(C)C(N)=NO
InChIInChI=1S/C8H17N3O3/c1-5(12)4-11(3)8(13)6(2)7(9)10-14/h5-6,12,14H,4H2,1-3H3,(H2,9,10)
InChIKeyAUTXIUNKEBRZNA-UHFFFAOYSA-N
MW203.24 g/mol
LogP-0.79
Rot. Bonds4

About 3-amino-3-hydroxyimino-N-(2-hydroxypropyl)-N,2-dimethylpropanamide

3-amino-3-hydroxyimino-N-(2-hydroxypropyl)-N,2-dimethylpropanamide (PubChem CID 76940125) has the molecular formula C8H17N3O3 and a molecular weight of 203.24 g/mol. Its IUPAC name is 3-amino-3-hydroxyimino-N-(2-hydroxypropyl)-N,2-dimethylpropanamide.

Molecular Properties

Compound Name3-amino-3-hydroxyimino-N-(2-hydroxypropyl)-N,2-dimethylpropanamide
PubChem CID76940125
Molecular FormulaC8H17N3O3
Molecular Weight203.24 g/mol
Exact Mass203.13
IUPAC Name3-amino-3-hydroxyimino-N-(2-hydroxypropyl)-N,2-dimethylpropanamide
SMILESCC(O)CN(C)C(=O)C(C)C(N)=NO
InChIInChI=1S/C8H17N3O3/c1-5(12)4-11(3)8(13)6(2)7(9)10-14/h5-6,12,14H,4H2,1-3H3,(H2,9,10)
InChIKeyAUTXIUNKEBRZNA-UHFFFAOYSA-N
XLogP-0.79
TPSA99.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 5-0.79
H-Bond Donors ≤ 53
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-3-hydroxyimino-N-(2-hydroxypropyl)-N,2-dimethylpropanamide?
The IUPAC name of 3-amino-3-hydroxyimino-N-(2-hydroxypropyl)-N,2-dimethylpropanamide (CID 76940125) is 3-amino-3-hydroxyimino-N-(2-hydroxypropyl)-N,2-dimethylpropanamide.
What is the SMILES notation for 3-amino-3-hydroxyimino-N-(2-hydroxypropyl)-N,2-dimethylpropanamide?
The canonical SMILES for 3-amino-3-hydroxyimino-N-(2-hydroxypropyl)-N,2-dimethylpropanamide is CC(O)CN(C)C(=O)C(C)C(N)=NO.
What is the InChIKey of 3-amino-3-hydroxyimino-N-(2-hydroxypropyl)-N,2-dimethylpropanamide?
The InChIKey is AUTXIUNKEBRZNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O3/c1-5(12)4-11(3)8(13)6(2)7(9)10-14/h5-6,12,14H,4H2,1-3H3,(H2,9,10).
What are the key properties of 3-amino-3-hydroxyimino-N-(2-hydroxypropyl)-N,2-dimethylpropanamide?
3-amino-3-hydroxyimino-N-(2-hydroxypropyl)-N,2-dimethylpropanamide has a molecular weight of 203.24 g/mol, XLogP of -0.79, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-hydroxyimino-N-(2-hydroxypropyl)-N,2-dimethylpropanamide is sourced from PubChem (CID 76940125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).