ethyl 4-amino-4-hydroxyimino-3-methylbutanoate

C7H14N2O3 — CID 173470343

IUPACethyl 4-amino-4-hydroxyimino-3-methylbutanoate
SMILESCCOC(=O)CC(C)C(N)=NO
InChIInChI=1S/C7H14N2O3/c1-3-12-6(10)4-5(2)7(8)9-11/h5,11H,3-4H2,1-2H3,(H2,8,9)
InChIKeyATELJZLYENJIMP-UHFFFAOYSA-N
MW174.20 g/mol
LogP0.32
Rot. Bonds4

About ethyl 4-amino-4-hydroxyimino-3-methylbutanoate

ethyl 4-amino-4-hydroxyimino-3-methylbutanoate (PubChem CID 173470343) has the molecular formula C7H14N2O3 and a molecular weight of 174.20 g/mol. Its IUPAC name is ethyl 4-amino-4-hydroxyimino-3-methylbutanoate.

Molecular Properties

Compound Nameethyl 4-amino-4-hydroxyimino-3-methylbutanoate
PubChem CID173470343
Molecular FormulaC7H14N2O3
Molecular Weight174.20 g/mol
Exact Mass174.10
IUPAC Nameethyl 4-amino-4-hydroxyimino-3-methylbutanoate
SMILESCCOC(=O)CC(C)C(N)=NO
InChIInChI=1S/C7H14N2O3/c1-3-12-6(10)4-5(2)7(8)9-11/h5,11H,3-4H2,1-2H3,(H2,8,9)
InChIKeyATELJZLYENJIMP-UHFFFAOYSA-N
XLogP0.32
TPSA84.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 50.32
H-Bond Donors ≤ 52
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'}

Analyze ethyl 4-amino-4-hydroxyimino-3-methylbutanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl (3R)-3-methyl-4-oxopentanoate
CID 14870757
ethyl 6-amino-3,4-dimethyl-6-oxohexanoate
CID 59188853
(Z)-2,3-bis(4-ethoxy-4-oxobutan-2-yl)but-2-enedioic acid
CID 175499778
ethyl 3,4-dimethylpent-4-enoate
CID 14786682
(4-ethoxy-4-oxobutan-2-yl)boronic acid
CID 130141814
ethyl (3R,4Z)-3-amino-4-hydroxyiminopentanoate
CID 92529443
ethyl (3R)-3-methylpentanoate
CID 7567160
ethyl 3-carbamoyloxybutanoate
CID 88785770
ethyl (4S)-3,4-dihydroxypentanoate
CID 156690497
ethyl 3-(dimethylamino)butanoate
CID 3020377
ethyl 3-[(4-ethoxy-4-oxobutan-2-yl)amino]butanoate
CID 121011286
ethyl N-[(3-amino-3-hydroxyimino-2-methylpropyl)-ethylsulfamoyl]carbamate
CID 104929326

Frequently Asked Questions

What is the IUPAC name of ethyl 4-amino-4-hydroxyimino-3-methylbutanoate?
The IUPAC name of ethyl 4-amino-4-hydroxyimino-3-methylbutanoate (CID 173470343) is ethyl 4-amino-4-hydroxyimino-3-methylbutanoate.
What is the SMILES notation for ethyl 4-amino-4-hydroxyimino-3-methylbutanoate?
The canonical SMILES for ethyl 4-amino-4-hydroxyimino-3-methylbutanoate is CCOC(=O)CC(C)C(N)=NO.
What is the InChIKey of ethyl 4-amino-4-hydroxyimino-3-methylbutanoate?
The InChIKey is ATELJZLYENJIMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O3/c1-3-12-6(10)4-5(2)7(8)9-11/h5,11H,3-4H2,1-2H3,(H2,8,9).
What are the key properties of ethyl 4-amino-4-hydroxyimino-3-methylbutanoate?
ethyl 4-amino-4-hydroxyimino-3-methylbutanoate has a molecular weight of 174.20 g/mol, XLogP of 0.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-amino-4-hydroxyimino-3-methylbutanoate is sourced from PubChem (CID 173470343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).