2-(aminooxymethyl)-3-methylbutanoic acid

C6H13NO3 — CID 105429040

IUPAC2-(aminooxymethyl)-3-methylbutanoic acid
SMILESCC(C)C(CON)C(=O)O
InChIInChI=1S/C6H13NO3/c1-4(2)5(3-10-7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)
InChIKeyDETCBJJBGJADHB-UHFFFAOYSA-N
MW147.17 g/mol
LogP0.23
Rot. Bonds4

About 2-(aminooxymethyl)-3-methylbutanoic acid

2-(aminooxymethyl)-3-methylbutanoic acid (PubChem CID 105429040) has the molecular formula C6H13NO3 and a molecular weight of 147.17 g/mol. Its IUPAC name is 2-(aminooxymethyl)-3-methylbutanoic acid.

Molecular Properties

Compound Name2-(aminooxymethyl)-3-methylbutanoic acid
PubChem CID105429040
Molecular FormulaC6H13NO3
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC Name2-(aminooxymethyl)-3-methylbutanoic acid
SMILESCC(C)C(CON)C(=O)O
InChIInChI=1S/C6H13NO3/c1-4(2)5(3-10-7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)
InChIKeyDETCBJJBGJADHB-UHFFFAOYSA-N
XLogP0.23
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.17
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(aminooxymethyl)-3-methylbutanoic acid 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

3-methyl-2-(propan-2-yloxymethyl)butanoic acid
CID 12874289
5-amino-2-propan-2-ylpentanoic acid
CID 104681083
[(2R)-1-aminooxypropan-2-yl]-tert-butylcarbamic acid
CID 118073922
[(2S)-1-aminooxypropan-2-yl]-tert-butylcarbamic acid
CID 87267527
2-[(carbamoylamino)methyl]-3-methylbutanoic acid
CID 65218090
ethane;2-propan-2-ylpentanoic acid
CID 175540570
5-oxo-2-propan-2-yl-5-(propan-2-ylamino)pentanoic acid
CID 112515283
(2S,4R,5R)-4,5,7-trimethyl-2-propan-2-yloctanoic acid
CID 56628753
6-methyl-4-oxo-2-propan-2-ylheptanoic acid
CID 76763066
1-aminooxy-3,3-dimethylbutan-2-ol
CID 21111532
3-methyl-2-[[4-(trifluoromethyl)phenoxy]methyl]butanoic acid
CID 117242534
(2S)-2-aminopropanoic acid;polane
CID 173022618

Frequently Asked Questions

What is the IUPAC name of 2-(aminooxymethyl)-3-methylbutanoic acid?
The IUPAC name of 2-(aminooxymethyl)-3-methylbutanoic acid (CID 105429040) is 2-(aminooxymethyl)-3-methylbutanoic acid.
What is the SMILES notation for 2-(aminooxymethyl)-3-methylbutanoic acid?
The canonical SMILES for 2-(aminooxymethyl)-3-methylbutanoic acid is CC(C)C(CON)C(=O)O.
What is the InChIKey of 2-(aminooxymethyl)-3-methylbutanoic acid?
The InChIKey is DETCBJJBGJADHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO3/c1-4(2)5(3-10-7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9).
What are the key properties of 2-(aminooxymethyl)-3-methylbutanoic acid?
2-(aminooxymethyl)-3-methylbutanoic acid has a molecular weight of 147.17 g/mol, XLogP of 0.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminooxymethyl)-3-methylbutanoic acid is sourced from PubChem (CID 105429040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).