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

C7H15N3O3 — CID 76926550

IUPAC3-amino-N-(2-hydroxyethyl)-3-hydroxyimino-N,2-dimethylpropanamide
SMILESCC(C(=O)N(C)CCO)C(N)=NO
InChIInChI=1S/C7H15N3O3/c1-5(6(8)9-13)7(12)10(2)3-4-11/h5,11,13H,3-4H2,1-2H3,(H2,8,9)
InChIKeyQRSUKMXFAGWMFI-UHFFFAOYSA-N
MW189.21 g/mol
LogP-1.18
Rot. Bonds4

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

3-amino-N-(2-hydroxyethyl)-3-hydroxyimino-N,2-dimethylpropanamide (PubChem CID 76926550) has the molecular formula C7H15N3O3 and a molecular weight of 189.21 g/mol. Its IUPAC name is 3-amino-N-(2-hydroxyethyl)-3-hydroxyimino-N,2-dimethylpropanamide.

Molecular Properties

Compound Name3-amino-N-(2-hydroxyethyl)-3-hydroxyimino-N,2-dimethylpropanamide
PubChem CID76926550
Molecular FormulaC7H15N3O3
Molecular Weight189.21 g/mol
Exact Mass189.11
IUPAC Name3-amino-N-(2-hydroxyethyl)-3-hydroxyimino-N,2-dimethylpropanamide
SMILESCC(C(=O)N(C)CCO)C(N)=NO
InChIInChI=1S/C7H15N3O3/c1-5(6(8)9-13)7(12)10(2)3-4-11/h5,11,13H,3-4H2,1-2H3,(H2,8,9)
InChIKeyQRSUKMXFAGWMFI-UHFFFAOYSA-N
XLogP-1.18
TPSA99.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 5-1.18
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-N-(2-hydroxyethyl)-3-hydroxyimino-N,2-dimethylpropanamide?
The IUPAC name of 3-amino-N-(2-hydroxyethyl)-3-hydroxyimino-N,2-dimethylpropanamide (CID 76926550) is 3-amino-N-(2-hydroxyethyl)-3-hydroxyimino-N,2-dimethylpropanamide.
What is the SMILES notation for 3-amino-N-(2-hydroxyethyl)-3-hydroxyimino-N,2-dimethylpropanamide?
The canonical SMILES for 3-amino-N-(2-hydroxyethyl)-3-hydroxyimino-N,2-dimethylpropanamide is CC(C(=O)N(C)CCO)C(N)=NO.
What is the InChIKey of 3-amino-N-(2-hydroxyethyl)-3-hydroxyimino-N,2-dimethylpropanamide?
The InChIKey is QRSUKMXFAGWMFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O3/c1-5(6(8)9-13)7(12)10(2)3-4-11/h5,11,13H,3-4H2,1-2H3,(H2,8,9).
What are the key properties of 3-amino-N-(2-hydroxyethyl)-3-hydroxyimino-N,2-dimethylpropanamide?
3-amino-N-(2-hydroxyethyl)-3-hydroxyimino-N,2-dimethylpropanamide has a molecular weight of 189.21 g/mol, XLogP of -1.18, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-hydroxyethyl)-3-hydroxyimino-N,2-dimethylpropanamide is sourced from PubChem (CID 76926550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).