methyl 2-methyl-3-[(2-methylpropan-2-yl)oxyamino]-3-oxopropanoate

C9H17NO4 — CID 10798185

IUPACmethyl 2-methyl-3-[(2-methylpropan-2-yl)oxyamino]-3-oxopropanoate
SMILESCOC(=O)C(C)C(=O)NOC(C)(C)C
InChIInChI=1S/C9H17NO4/c1-6(8(12)13-5)7(11)10-14-9(2,3)4/h6H,1-5H3,(H,10,11)
InChIKeyOVZWIQNPEJRYHM-UHFFFAOYSA-N
MW203.24 g/mol
LogP0.64
Rot. Bonds3

About methyl 2-methyl-3-[(2-methylpropan-2-yl)oxyamino]-3-oxopropanoate

methyl 2-methyl-3-[(2-methylpropan-2-yl)oxyamino]-3-oxopropanoate (PubChem CID 10798185) has the molecular formula C9H17NO4 and a molecular weight of 203.24 g/mol. Its IUPAC name is methyl 2-methyl-3-[(2-methylpropan-2-yl)oxyamino]-3-oxopropanoate.

Molecular Properties

Compound Namemethyl 2-methyl-3-[(2-methylpropan-2-yl)oxyamino]-3-oxopropanoate
PubChem CID10798185
Molecular FormulaC9H17NO4
Molecular Weight203.24 g/mol
Exact Mass203.12
IUPAC Namemethyl 2-methyl-3-[(2-methylpropan-2-yl)oxyamino]-3-oxopropanoate
SMILESCOC(=O)C(C)C(=O)NOC(C)(C)C
InChIInChI=1S/C9H17NO4/c1-6(8(12)13-5)7(11)10-14-9(2,3)4/h6H,1-5H3,(H,10,11)
InChIKeyOVZWIQNPEJRYHM-UHFFFAOYSA-N
XLogP0.64
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-4-chloro-2-methyl-N-[(2-methylpropan-2-yl)oxy]-3-oxobutanamide
CID 141088676
3-O-tert-butyl 1-O-methyl (2S)-2-methylpropanedioate
CID 91757639
2,3-dimethyl-4-[(2-methylpropan-2-yl)oxyamino]-4-oxobutanoic acid
CID 103499035
2-cyclopropyl-N-[(2-methylpropan-2-yl)oxy]propanamide
CID 82760561
2,2-dimethyl-N-[1-[(2-methylpropan-2-yl)oxyamino]-1-oxopropan-2-yl]propanamide
CID 82724608
2-(aminomethyl)-4,4-dimethyl-N-[(2-methylpropan-2-yl)oxy]pentanamide
CID 107472596
4-hydroxy-2-[(2-methylpropan-2-yl)oxycarbamoyl]butanoic acid
CID 141135925
3-(ethylamino)-N-[(2-methylpropan-2-yl)oxy]butanamide
CID 82724015
methyl (2R)-2-methyl-3-oxo-3-(prop-2-ynylamino)propanoate
CID 124583347
4-hydroxy-N-[(2-methylpropan-2-yl)oxy]pentanamide
CID 82724624
dimethyl (2R,3R)-2,3-bis[(2-methylpropan-2-yl)oxy]butanedioate
CID 14143488
3-O-methoxycarbonyl 1-O-methyl 2-methylpropanedioate
CID 135375113

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-3-[(2-methylpropan-2-yl)oxyamino]-3-oxopropanoate?
The IUPAC name of methyl 2-methyl-3-[(2-methylpropan-2-yl)oxyamino]-3-oxopropanoate (CID 10798185) is methyl 2-methyl-3-[(2-methylpropan-2-yl)oxyamino]-3-oxopropanoate.
What is the SMILES notation for methyl 2-methyl-3-[(2-methylpropan-2-yl)oxyamino]-3-oxopropanoate?
The canonical SMILES for methyl 2-methyl-3-[(2-methylpropan-2-yl)oxyamino]-3-oxopropanoate is COC(=O)C(C)C(=O)NOC(C)(C)C.
What is the InChIKey of methyl 2-methyl-3-[(2-methylpropan-2-yl)oxyamino]-3-oxopropanoate?
The InChIKey is OVZWIQNPEJRYHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO4/c1-6(8(12)13-5)7(11)10-14-9(2,3)4/h6H,1-5H3,(H,10,11).
What are the key properties of methyl 2-methyl-3-[(2-methylpropan-2-yl)oxyamino]-3-oxopropanoate?
methyl 2-methyl-3-[(2-methylpropan-2-yl)oxyamino]-3-oxopropanoate has a molecular weight of 203.24 g/mol, XLogP of 0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-3-[(2-methylpropan-2-yl)oxyamino]-3-oxopropanoate is sourced from PubChem (CID 10798185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).