methyl 2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]oxypropanoate

C10H19NO5 — CID 105492435

IUPACmethyl 2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]oxypropanoate
SMILESCOC(=O)C(C)CONC(=O)OC(C)(C)C
InChIInChI=1S/C10H19NO5/c1-7(8(12)14-5)6-15-11-9(13)16-10(2,3)4/h7H,6H2,1-5H3,(H,11,13)
InChIKeyHZMJPIZKLZRAHJ-UHFFFAOYSA-N
MW233.26 g/mol
LogP1.25
Rot. Bonds4

About methyl 2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]oxypropanoate

methyl 2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]oxypropanoate (PubChem CID 105492435) has the molecular formula C10H19NO5 and a molecular weight of 233.26 g/mol. Its IUPAC name is methyl 2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]oxypropanoate.

Molecular Properties

Compound Namemethyl 2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]oxypropanoate
PubChem CID105492435
Molecular FormulaC10H19NO5
Molecular Weight233.26 g/mol
Exact Mass233.13
IUPAC Namemethyl 2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]oxypropanoate
SMILESCOC(=O)C(C)CONC(=O)OC(C)(C)C
InChIInChI=1S/C10H19NO5/c1-7(8(12)14-5)6-15-11-9(13)16-10(2,3)4/h7H,6H2,1-5H3,(H,11,13)
InChIKeyHZMJPIZKLZRAHJ-UHFFFAOYSA-N
XLogP1.25
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.26
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl (2S,4S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxohexanoate
CID 58519403
tert-butyl N-[(2R,3R,4R,5R)-2,3,4,5-tetrahydroxyheptoxy]carbamate
CID 90296833
tert-butyl N-[2-chloro-3-[(2-methylpropan-2-yl)oxycarbonylamino]oxypropyl]carbamate
CID 15153709
tert-butyl N-(2-aminoethoxy)carbamate;hydrochloride
CID 135285194
methyl (2S)-4-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
CID 129247710
methyl 4-methoxy-2,4-dimethylpentanoate
CID 22982800
methyl (2S)-2-[ethyl-[(2-methylpropan-2-yl)oxycarbonylamino]amino]propanoate
CID 87344948
methyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-sulfanylpropanoate
CID 10977409
tert-butyl 2-methyl-3-[(2-methylpropan-2-yl)oxy]propanoate
CID 12923316
dimethyl (2S,3R)-2,3-bis[(2-methylpropan-2-yl)oxycarbonylamino]butanedioate
CID 10474650
methyl (2S)-3-(difluoromethoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 86775505
methyl (2S)-3-[methoxy(methyl)amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 54302944

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]oxypropanoate?
The IUPAC name of methyl 2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]oxypropanoate (CID 105492435) is methyl 2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]oxypropanoate.
What is the SMILES notation for methyl 2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]oxypropanoate?
The canonical SMILES for methyl 2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]oxypropanoate is COC(=O)C(C)CONC(=O)OC(C)(C)C.
What is the InChIKey of methyl 2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]oxypropanoate?
The InChIKey is HZMJPIZKLZRAHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO5/c1-7(8(12)14-5)6-15-11-9(13)16-10(2,3)4/h7H,6H2,1-5H3,(H,11,13).
What are the key properties of methyl 2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]oxypropanoate?
methyl 2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]oxypropanoate has a molecular weight of 233.26 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]oxypropanoate is sourced from PubChem (CID 105492435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).