methyl 2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

C10H19NO4 — CID 15853247

IUPACmethyl 2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
SMILESCOC(=O)C(C)(C)NC(=O)OC(C)(C)C
InChIInChI=1S/C10H19NO4/c1-9(2,3)15-8(13)11-10(4,5)7(12)14-6/h1-6H3,(H,11,13)
InChIKeyOXGSYLWMSHXMLT-UHFFFAOYSA-N
MW217.26 g/mol
LogP1.46
Rot. Bonds2

About methyl 2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

methyl 2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate (PubChem CID 15853247) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is methyl 2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate.

Molecular Properties

Compound Namemethyl 2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
PubChem CID15853247
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Namemethyl 2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
SMILESCOC(=O)C(C)(C)NC(=O)OC(C)(C)C
InChIInChI=1S/C10H19NO4/c1-9(2,3)15-8(13)11-10(4,5)7(12)14-6/h1-6H3,(H,11,13)
InChIKeyOXGSYLWMSHXMLT-UHFFFAOYSA-N
XLogP1.46
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 7004985
methyl 2-methyl-2-[[(2R)-2-methyl-2-[[2-methyl-2-[[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoyl]amino]pent-4-enoyl]amino]propanoate
CID 101061932
dimethyl 2-formyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanedioate
CID 142256779
(4-hydroxyphenyl) 2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 90910009
methyl (E,2R)-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-trimethylstannylbut-3-enoate
CID 24749511
[1-amino-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propylidene]azanium chloride
CID 114996576
propan-2-yl 2-amino-2-methylpropanoate;propan-2-yl 2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate;hydrochloride
CID 159382523
tert-butyl N-[(1E)-1-amino-1-hydroxyimino-2-methylpropan-2-yl]carbamate
CID 56828012
(4-tert-butylcyclohexyl) 2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 162724636
methyl 2-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
CID 88646273
methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylpropanoate
CID 15384695
tert-butyl N-[2-methyl-3-(methylaminomethyl)but-3-en-2-yl]carbamate
CID 88590232

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
The IUPAC name of methyl 2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate (CID 15853247) is methyl 2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate.
What is the SMILES notation for methyl 2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
The canonical SMILES for methyl 2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate is COC(=O)C(C)(C)NC(=O)OC(C)(C)C.
What is the InChIKey of methyl 2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
The InChIKey is OXGSYLWMSHXMLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-9(2,3)15-8(13)11-10(4,5)7(12)14-6/h1-6H3,(H,11,13).
What are the key properties of methyl 2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
methyl 2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate has a molecular weight of 217.26 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate is sourced from PubChem (CID 15853247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).