3-[[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]amino]pentan-2-one

C10H21NO3 — CID 123722508

IUPAC3-[[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]amino]pentan-2-one
SMILESCCC(NC(O)OC(C)(C)C)C(C)=O
InChIInChI=1S/C10H21NO3/c1-6-8(7(2)12)11-9(13)14-10(3,4)5/h8-9,11,13H,6H2,1-5H3
InChIKeyWHYXPARZQBQYJX-UHFFFAOYSA-N
MW203.28 g/mol
LogP1.03
Rot. Bonds5

About 3-[[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]amino]pentan-2-one

3-[[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]amino]pentan-2-one (PubChem CID 123722508) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is 3-[[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]amino]pentan-2-one.

Molecular Properties

Compound Name3-[[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]amino]pentan-2-one
PubChem CID123722508
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Name3-[[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]amino]pentan-2-one
SMILESCCC(NC(O)OC(C)(C)C)C(C)=O
InChIInChI=1S/C10H21NO3/c1-6-8(7(2)12)11-9(13)14-10(3,4)5/h8-9,11,13H,6H2,1-5H3
InChIKeyWHYXPARZQBQYJX-UHFFFAOYSA-N
XLogP1.03
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-(tert-butylamino)pentan-2-one
CID 123205051
(3S)-3-(iodoamino)pentan-2-one
CID 90142832
tert-butyl 2-acetamidobutanoate
CID 14390034
2-[(1-amino-1-oxobutan-2-yl)amino]butanamide
CID 174420695
tert-butyl (2R)-2-hydrazinylbutanoate
CID 140972061
4-cyclobutyl-2-hydroxy-3-[[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]amino]butanoic acid
CID 143738925
4-[[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]amino]-2,2-dimethylbutanoic acid
CID 126571794
methyl (2S)-2-amino-3-[[(R)-hydroxy-[(2-methylpropan-2-yl)oxy]methyl]amino]propanoate
CID 58674394
chloro (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 174709718
4-[2-[[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]amino]pentanoylamino]-6-phenylhex-2-enoic acid
CID 123300932
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 2755934
methyl 2-(3,3-dimethylbutan-2-ylamino)butanoate
CID 104827622

Frequently Asked Questions

What is the IUPAC name of 3-[[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]amino]pentan-2-one?
The IUPAC name of 3-[[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]amino]pentan-2-one (CID 123722508) is 3-[[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]amino]pentan-2-one.
What is the SMILES notation for 3-[[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]amino]pentan-2-one?
The canonical SMILES for 3-[[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]amino]pentan-2-one is CCC(NC(O)OC(C)(C)C)C(C)=O.
What is the InChIKey of 3-[[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]amino]pentan-2-one?
The InChIKey is WHYXPARZQBQYJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3/c1-6-8(7(2)12)11-9(13)14-10(3,4)5/h8-9,11,13H,6H2,1-5H3.
What are the key properties of 3-[[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]amino]pentan-2-one?
3-[[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]amino]pentan-2-one has a molecular weight of 203.28 g/mol, XLogP of 1.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]amino]pentan-2-one is sourced from PubChem (CID 123722508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).