methyl 2-(hydroxyamino)-2-methylpentanoate

C7H15NO3 — CID 131859710

IUPACmethyl 2-(hydroxyamino)-2-methylpentanoate
SMILESCCCC(C)(NO)C(=O)OC
InChIInChI=1S/C7H15NO3/c1-4-5-7(2,8-10)6(9)11-3/h8,10H,4-5H2,1-3H3
InChIKeyCBESEXZVAMUTDT-UHFFFAOYSA-N
MW161.20 g/mol
LogP0.70
Rot. Bonds4

About methyl 2-(hydroxyamino)-2-methylpentanoate

methyl 2-(hydroxyamino)-2-methylpentanoate (PubChem CID 131859710) has the molecular formula C7H15NO3 and a molecular weight of 161.20 g/mol. Its IUPAC name is methyl 2-(hydroxyamino)-2-methylpentanoate.

Molecular Properties

Compound Namemethyl 2-(hydroxyamino)-2-methylpentanoate
PubChem CID131859710
Molecular FormulaC7H15NO3
Molecular Weight161.20 g/mol
Exact Mass161.11
IUPAC Namemethyl 2-(hydroxyamino)-2-methylpentanoate
SMILESCCCC(C)(NO)C(=O)OC
InChIInChI=1S/C7H15NO3/c1-4-5-7(2,8-10)6(9)11-3/h8,10H,4-5H2,1-3H3
InChIKeyCBESEXZVAMUTDT-UHFFFAOYSA-N
XLogP0.70
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-(ethylamino)-2-methylpentanoate
CID 60788198
methyl 2-[(2-methoxy-2-methylpropanoyl)amino]-2-methylpentanoate
CID 103021738
methyl 2-methyl-2-[(2-methylsulfanylacetyl)amino]pentanoate
CID 43431441
methyl 2-methyl-2-(propylcarbamoylamino)pentanoate
CID 43624107
methyl 2-methyl-2-(propan-2-ylcarbamoylamino)pentanoate
CID 43624086
methyl 2-(3-methoxypropanoylamino)-2-methylpentanoate
CID 62591168
methyl (2R)-2-methyl-2-(thiophen-2-ylsulfonylamino)pentanoate
CID 93045702
methyl 2-methyl-2-(2,2,2-trifluoroethylcarbamoylamino)pentanoate
CID 113463047
methyl 2-methyl-2-(propan-2-ylsulfamoylamino)pentanoate
CID 114811481
methyl 2-(ethylamino)-2-propylpentanoate
CID 60787868
methyl (2S)-2-benzamido-2-methylpentanoate
CID 141268711
methyl 2-methyl-2-[4-(methylamino)butanoylamino]pentanoate
CID 119729099

Frequently Asked Questions

What is the IUPAC name of methyl 2-(hydroxyamino)-2-methylpentanoate?
The IUPAC name of methyl 2-(hydroxyamino)-2-methylpentanoate (CID 131859710) is methyl 2-(hydroxyamino)-2-methylpentanoate.
What is the SMILES notation for methyl 2-(hydroxyamino)-2-methylpentanoate?
The canonical SMILES for methyl 2-(hydroxyamino)-2-methylpentanoate is CCCC(C)(NO)C(=O)OC.
What is the InChIKey of methyl 2-(hydroxyamino)-2-methylpentanoate?
The InChIKey is CBESEXZVAMUTDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3/c1-4-5-7(2,8-10)6(9)11-3/h8,10H,4-5H2,1-3H3.
What are the key properties of methyl 2-(hydroxyamino)-2-methylpentanoate?
methyl 2-(hydroxyamino)-2-methylpentanoate has a molecular weight of 161.20 g/mol, XLogP of 0.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(hydroxyamino)-2-methylpentanoate is sourced from PubChem (CID 131859710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).