3-amino-3-hydroxyimino-N-(2-hydroxy-3-methoxypropyl)-N,2-dimethylpropanamide

C9H19N3O4 — CID 76923602

IUPAC3-amino-3-hydroxyimino-N-(2-hydroxy-3-methoxypropyl)-N,2-dimethylpropanamide
SMILESCOCC(O)CN(C)C(=O)C(C)C(N)=NO
InChIInChI=1S/C9H19N3O4/c1-6(8(10)11-15)9(14)12(2)4-7(13)5-16-3/h6-7,13,15H,4-5H2,1-3H3,(H2,10,11)
InChIKeyKDVMQTJKKWMMFJ-UHFFFAOYSA-N
MW233.27 g/mol
LogP-1.17
Rot. Bonds6

About 3-amino-3-hydroxyimino-N-(2-hydroxy-3-methoxypropyl)-N,2-dimethylpropanamide

3-amino-3-hydroxyimino-N-(2-hydroxy-3-methoxypropyl)-N,2-dimethylpropanamide (PubChem CID 76923602) has the molecular formula C9H19N3O4 and a molecular weight of 233.27 g/mol. Its IUPAC name is 3-amino-3-hydroxyimino-N-(2-hydroxy-3-methoxypropyl)-N,2-dimethylpropanamide.

Molecular Properties

Compound Name3-amino-3-hydroxyimino-N-(2-hydroxy-3-methoxypropyl)-N,2-dimethylpropanamide
PubChem CID76923602
Molecular FormulaC9H19N3O4
Molecular Weight233.27 g/mol
Exact Mass233.14
IUPAC Name3-amino-3-hydroxyimino-N-(2-hydroxy-3-methoxypropyl)-N,2-dimethylpropanamide
SMILESCOCC(O)CN(C)C(=O)C(C)C(N)=NO
InChIInChI=1S/C9H19N3O4/c1-6(8(10)11-15)9(14)12(2)4-7(13)5-16-3/h6-7,13,15H,4-5H2,1-3H3,(H2,10,11)
InChIKeyKDVMQTJKKWMMFJ-UHFFFAOYSA-N
XLogP-1.17
TPSA108.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 5-1.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

(3Z)-3-amino-3-hydroxyimino-N,N-bis(2-methoxyethyl)-2-methylpropanamide
CID 61858016
N'-hydroxy-3-[(2-hydroxy-3-methoxypropyl)-methylamino]-2-methylpropanimidamide
CID 76911080
3-amino-3-hydroxyimino-N-(2-hydroxy-3-methoxypropyl)-N-methylpropanamide
CID 76911313
3-amino-3-hydroxyimino-N-(2-hydroxy-3-methoxypropyl)-N,2,2-trimethylpropanamide
CID 76921530
2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-(2-hydroxy-3-methoxypropyl)-N-methylbutanamide
CID 76921634
2-(N'-hydroxycarbamimidoyl)-N-(2-hydroxy-3-methoxypropyl)-N-methylbutanamide
CID 76923603
2-(N'-hydroxycarbamimidoyl)-N-(2-hydroxy-3-methoxypropyl)-N-methylpentanamide
CID 76923646
2-(N'-hydroxycarbamimidoyl)-N-(2-hydroxy-3-methoxypropyl)-N,3-dimethylbutanamide
CID 76923647
3-amino-N-(1,4-dioxan-2-ylmethyl)-3-hydroxyimino-2-methylpropanamide
CID 76924652
3-amino-N-(2-hydroxyethyl)-3-hydroxyimino-2-methyl-N-propylpropanamide
CID 76924675
3-amino-N,N-bis(2-hydroxyethyl)-3-hydroxyimino-2-methylpropanamide
CID 76924803
2-(N'-hydroxycarbamimidoyl)-N,N-bis(2-hydroxyethyl)butanamide
CID 76924804

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-hydroxyimino-N-(2-hydroxy-3-methoxypropyl)-N,2-dimethylpropanamide?
The IUPAC name of 3-amino-3-hydroxyimino-N-(2-hydroxy-3-methoxypropyl)-N,2-dimethylpropanamide (CID 76923602) is 3-amino-3-hydroxyimino-N-(2-hydroxy-3-methoxypropyl)-N,2-dimethylpropanamide.
What is the SMILES notation for 3-amino-3-hydroxyimino-N-(2-hydroxy-3-methoxypropyl)-N,2-dimethylpropanamide?
The canonical SMILES for 3-amino-3-hydroxyimino-N-(2-hydroxy-3-methoxypropyl)-N,2-dimethylpropanamide is COCC(O)CN(C)C(=O)C(C)C(N)=NO.
What is the InChIKey of 3-amino-3-hydroxyimino-N-(2-hydroxy-3-methoxypropyl)-N,2-dimethylpropanamide?
The InChIKey is KDVMQTJKKWMMFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O4/c1-6(8(10)11-15)9(14)12(2)4-7(13)5-16-3/h6-7,13,15H,4-5H2,1-3H3,(H2,10,11).
What are the key properties of 3-amino-3-hydroxyimino-N-(2-hydroxy-3-methoxypropyl)-N,2-dimethylpropanamide?
3-amino-3-hydroxyimino-N-(2-hydroxy-3-methoxypropyl)-N,2-dimethylpropanamide has a molecular weight of 233.27 g/mol, XLogP of -1.17, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-hydroxyimino-N-(2-hydroxy-3-methoxypropyl)-N,2-dimethylpropanamide is sourced from PubChem (CID 76923602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).