ethyl (2R)-2-methyl-2-(methylamino)-3-(oxan-2-yloxyamino)-3-oxopropanoate

C12H22N2O5 — CID 130238694

IUPACethyl (2R)-2-methyl-2-(methylamino)-3-(oxan-2-yloxyamino)-3-oxopropanoate
SMILESCCOC(=O)[C@](C)(NC)C(=O)NOC1CCCCO1
InChIInChI=1S/C12H22N2O5/c1-4-17-11(16)12(2,13-3)10(15)14-19-9-7-5-6-8-18-9/h9,13H,4-8H2,1-3H3,(H,14,15)/t9?,12-/m1/s1
InChIKeyXQWNVHABNWJRFQ-FFFFSGIJSA-N
MW274.32 g/mol
LogP0.10
Rot. Bonds6

About ethyl (2R)-2-methyl-2-(methylamino)-3-(oxan-2-yloxyamino)-3-oxopropanoate

ethyl (2R)-2-methyl-2-(methylamino)-3-(oxan-2-yloxyamino)-3-oxopropanoate (PubChem CID 130238694) has the molecular formula C12H22N2O5 and a molecular weight of 274.32 g/mol. Its IUPAC name is ethyl (2R)-2-methyl-2-(methylamino)-3-(oxan-2-yloxyamino)-3-oxopropanoate.

Molecular Properties

Compound Nameethyl (2R)-2-methyl-2-(methylamino)-3-(oxan-2-yloxyamino)-3-oxopropanoate
PubChem CID130238694
Molecular FormulaC12H22N2O5
Molecular Weight274.32 g/mol
Exact Mass274.15
IUPAC Nameethyl (2R)-2-methyl-2-(methylamino)-3-(oxan-2-yloxyamino)-3-oxopropanoate
SMILESCCOC(=O)[C@](C)(NC)C(=O)NOC1CCCCO1
InChIInChI=1S/C12H22N2O5/c1-4-17-11(16)12(2,13-3)10(15)14-19-9-7-5-6-8-18-9/h9,13H,4-8H2,1-3H3,(H,14,15)/t9?,12-/m1/s1
InChIKeyXQWNVHABNWJRFQ-FFFFSGIJSA-N
XLogP0.10
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

tert-butyl N-(oxan-2-yloxy)carbamate
CID 11790630
N-(oxan-2-yloxy)hexanamide
CID 142707517
ethyl (2S)-2-(oxan-2-yloxy)-2-phenylpropanoate
CID 100974309
N-(oxan-2-yloxy)cyclopropanecarboxamide
CID 130685295
1-methyl-1,3-bis(oxan-2-yloxy)urea
CID 19371750
ethyl 2-methyl-2-[[(2S)-oxan-2-yl]methylsulfanyl]propanoate
CID 59268005
ethyl (E)-3-[4-(oxan-2-yloxycarbamoyl)phenyl]prop-2-enoate
CID 142704315
oxan-2-yl 2-bromo-2-methylpropanoate
CID 12570457
(2R,3R)-2-tert-butyl-3-hydroxy-4-methyl-N-(oxan-2-yloxy)pentanamide
CID 139893645
oxolan-2-yl 2-methyl-2-(methylamino)pentanoate
CID 170233945
(2R,3R)-3-methyl-N-[(2R)-oxan-2-yl]oxyoxolane-2-carboxamide
CID 97023842
4-(2-chlorophenyl)-2,2-dimethyl-N-(oxan-2-yloxy)butanamide
CID 150816823

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-methyl-2-(methylamino)-3-(oxan-2-yloxyamino)-3-oxopropanoate?
The IUPAC name of ethyl (2R)-2-methyl-2-(methylamino)-3-(oxan-2-yloxyamino)-3-oxopropanoate (CID 130238694) is ethyl (2R)-2-methyl-2-(methylamino)-3-(oxan-2-yloxyamino)-3-oxopropanoate.
What is the SMILES notation for ethyl (2R)-2-methyl-2-(methylamino)-3-(oxan-2-yloxyamino)-3-oxopropanoate?
The canonical SMILES for ethyl (2R)-2-methyl-2-(methylamino)-3-(oxan-2-yloxyamino)-3-oxopropanoate is CCOC(=O)[C@](C)(NC)C(=O)NOC1CCCCO1.
What is the InChIKey of ethyl (2R)-2-methyl-2-(methylamino)-3-(oxan-2-yloxyamino)-3-oxopropanoate?
The InChIKey is XQWNVHABNWJRFQ-FFFFSGIJSA-N. The full InChI is InChI=1S/C12H22N2O5/c1-4-17-11(16)12(2,13-3)10(15)14-19-9-7-5-6-8-18-9/h9,13H,4-8H2,1-3H3,(H,14,15)/t9?,12-/m1/s1.
What are the key properties of ethyl (2R)-2-methyl-2-(methylamino)-3-(oxan-2-yloxyamino)-3-oxopropanoate?
ethyl (2R)-2-methyl-2-(methylamino)-3-(oxan-2-yloxyamino)-3-oxopropanoate has a molecular weight of 274.32 g/mol, XLogP of 0.10, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-methyl-2-(methylamino)-3-(oxan-2-yloxyamino)-3-oxopropanoate is sourced from PubChem (CID 130238694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).