methyl 3-(hydroxyamino)butanoate

C5H11NO3 — CID 103282672

IUPACmethyl 3-(hydroxyamino)butanoate
SMILESCOC(=O)CC(C)NO
InChIInChI=1S/C5H11NO3/c1-4(6-8)3-5(7)9-2/h4,6,8H,3H2,1-2H3
InChIKeyIHZYLGWDRONEEF-UHFFFAOYSA-N
MW133.15 g/mol
LogP-0.08
Rot. Bonds3

About methyl 3-(hydroxyamino)butanoate

methyl 3-(hydroxyamino)butanoate (PubChem CID 103282672) has the molecular formula C5H11NO3 and a molecular weight of 133.15 g/mol. Its IUPAC name is methyl 3-(hydroxyamino)butanoate.

Molecular Properties

Compound Namemethyl 3-(hydroxyamino)butanoate
PubChem CID103282672
Molecular FormulaC5H11NO3
Molecular Weight133.15 g/mol
Exact Mass133.07
IUPAC Namemethyl 3-(hydroxyamino)butanoate
SMILESCOC(=O)CC(C)NO
InChIInChI=1S/C5H11NO3/c1-4(6-8)3-5(7)9-2/h4,6,8H,3H2,1-2H3
InChIKeyIHZYLGWDRONEEF-UHFFFAOYSA-N
XLogP-0.08
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.15
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze methyl 3-(hydroxyamino)butanoate 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

methyl (3R)-3-(phosphanylamino)butanoate
CID 59118777
methyl 3,4-dimethylpentanoate
CID 554058
methyl 3-methyl-5-oxohexanoate
CID 13198405
methyl (3R,4S)-3,4-dimethyl-5-oxohexanoate
CID 170849534
methyl (3R)-3-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]butanoate
CID 54023912
azane;methyl 3-methylbutanoate;hydrochloride
CID 175434492
methyl 3-(but-2-ynylamino)butanoate
CID 115977869
methyl 3-(prop-2-enoylamino)butanoate
CID 139498956
methyl (3R)-3-(ethoxycarbonylamino)butanoate
CID 102236477
(2R)-4-methoxy-2-methyl-4-oxobutanoic acid
CID 6398856
methyl (3S)-3-aminobutanoate;hydrochloride
CID 53487346
methyl (3S)-4-amino-3-methyl-4-oxobutanoate
CID 146955402

Frequently Asked Questions

What is the IUPAC name of methyl 3-(hydroxyamino)butanoate?
The IUPAC name of methyl 3-(hydroxyamino)butanoate (CID 103282672) is methyl 3-(hydroxyamino)butanoate.
What is the SMILES notation for methyl 3-(hydroxyamino)butanoate?
The canonical SMILES for methyl 3-(hydroxyamino)butanoate is COC(=O)CC(C)NO.
What is the InChIKey of methyl 3-(hydroxyamino)butanoate?
The InChIKey is IHZYLGWDRONEEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO3/c1-4(6-8)3-5(7)9-2/h4,6,8H,3H2,1-2H3.
What are the key properties of methyl 3-(hydroxyamino)butanoate?
methyl 3-(hydroxyamino)butanoate has a molecular weight of 133.15 g/mol, XLogP of -0.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(hydroxyamino)butanoate is sourced from PubChem (CID 103282672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).