methyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate

C9H17NO4 — CID 14018930

IUPACmethyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate
SMILESCOC(=O)CN(C)C(=O)OC(C)(C)C
InChIInChI=1S/C9H17NO4/c1-9(2,3)14-8(12)10(4)6-7(11)13-5/h6H2,1-5H3
InChIKeyLTBDTYJYKRLTRN-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.03
Rot. Bonds2

About methyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate

methyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate (PubChem CID 14018930) has the molecular formula C9H17NO4 and a molecular weight of 203.24 g/mol. Its IUPAC name is methyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate
PubChem CID14018930
Molecular FormulaC9H17NO4
Molecular Weight203.24 g/mol
Exact Mass203.12
IUPAC Namemethyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate
SMILESCOC(=O)CN(C)C(=O)OC(C)(C)C
InChIInChI=1S/C9H17NO4/c1-9(2,3)14-8(12)10(4)6-7(11)13-5/h6H2,1-5H3
InChIKeyLTBDTYJYKRLTRN-UHFFFAOYSA-N
XLogP1.03
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate?
The IUPAC name of methyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate (CID 14018930) is methyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate.
What is the SMILES notation for methyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate?
The canonical SMILES for methyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate is COC(=O)CN(C)C(=O)OC(C)(C)C.
What is the InChIKey of methyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate?
The InChIKey is LTBDTYJYKRLTRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO4/c1-9(2,3)14-8(12)10(4)6-7(11)13-5/h6H2,1-5H3.
What are the key properties of methyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate?
methyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate has a molecular weight of 203.24 g/mol, XLogP of 1.03, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate is sourced from PubChem (CID 14018930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).