2-(methoxyamino)hexanoic acid

C7H15NO3 — CID 103254320

IUPAC2-(methoxyamino)hexanoic acid
SMILESCCCCC(NOC)C(=O)O
InChIInChI=1S/C7H15NO3/c1-3-4-5-6(7(9)10)8-11-2/h6,8H,3-5H2,1-2H3,(H,9,10)
InChIKeyFGGXTXGFDURWFJ-UHFFFAOYSA-N
MW161.20 g/mol
LogP0.78
Rot. Bonds6

About 2-(methoxyamino)hexanoic acid

2-(methoxyamino)hexanoic acid (PubChem CID 103254320) has the molecular formula C7H15NO3 and a molecular weight of 161.20 g/mol. Its IUPAC name is 2-(methoxyamino)hexanoic acid.

Molecular Properties

Compound Name2-(methoxyamino)hexanoic acid
PubChem CID103254320
Molecular FormulaC7H15NO3
Molecular Weight161.20 g/mol
Exact Mass161.11
IUPAC Name2-(methoxyamino)hexanoic acid
SMILESCCCCC(NOC)C(=O)O
InChIInChI=1S/C7H15NO3/c1-3-4-5-6(7(9)10)8-11-2/h6,8H,3-5H2,1-2H3,(H,9,10)
InChIKeyFGGXTXGFDURWFJ-UHFFFAOYSA-N
XLogP0.78
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(1-carboxypentylamino)hexanoic acid
CID 22643835
2-[(2-methoxy-2-oxoethyl)amino]hexanoic acid
CID 103231211
2-(2,2,2-trifluoroethoxyamino)hexanoic acid
CID 103261646
(2S)-2-(methoxyamino)-4-methylsulfanylbutanoic acid
CID 154085553
(2R)-3-hydroxy-2-(methoxyamino)propanoic acid
CID 87285376
(2S)-2-hydrazinylheptanoic acid
CID 118266927
2-[(3-methoxy-3-oxopropyl)amino]hexanoic acid
CID 103240369
2-[bis(2-methoxyethyl)carbamoylamino]hexanoic acid
CID 61418314
2-[(4-amino-3-methoxybutanoyl)amino]hexanoic acid
CID 103155410
(2R)-2-(2-carboxyhydrazinyl)hexanoic acid
CID 124632402
(2S)-2-(2-carboxyhydrazinyl)hexanoic acid
CID 124632401
(2S)-2-[(2-methoxy-2-oxoethyl)sulfonylamino]hexanoic acid
CID 107145097

Frequently Asked Questions

What is the IUPAC name of 2-(methoxyamino)hexanoic acid?
The IUPAC name of 2-(methoxyamino)hexanoic acid (CID 103254320) is 2-(methoxyamino)hexanoic acid.
What is the SMILES notation for 2-(methoxyamino)hexanoic acid?
The canonical SMILES for 2-(methoxyamino)hexanoic acid is CCCCC(NOC)C(=O)O.
What is the InChIKey of 2-(methoxyamino)hexanoic acid?
The InChIKey is FGGXTXGFDURWFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3/c1-3-4-5-6(7(9)10)8-11-2/h6,8H,3-5H2,1-2H3,(H,9,10).
What are the key properties of 2-(methoxyamino)hexanoic acid?
2-(methoxyamino)hexanoic acid has a molecular weight of 161.20 g/mol, XLogP of 0.78, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxyamino)hexanoic acid is sourced from PubChem (CID 103254320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).