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

C10H19NO4 — CID 10987718

IUPACethyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate
SMILESCCOC(=O)CN(C)C(=O)OC(C)(C)C
InChIInChI=1S/C10H19NO4/c1-6-14-8(12)7-11(5)9(13)15-10(2,3)4/h6-7H2,1-5H3
InChIKeyROHJMICRGOFIBK-UHFFFAOYSA-N
MW217.26 g/mol
LogP1.42
Rot. Bonds3

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

ethyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate (PubChem CID 10987718) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is ethyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate
PubChem CID10987718
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Nameethyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate
SMILESCCOC(=O)CN(C)C(=O)OC(C)(C)C
InChIInChI=1S/C10H19NO4/c1-6-14-8(12)7-11(5)9(13)15-10(2,3)4/h6-7H2,1-5H3
InChIKeyROHJMICRGOFIBK-UHFFFAOYSA-N
XLogP1.42
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

CID 83692
CID 83692
CID 12991451
CID 12991451
CID 265106
CID 265106
CID 54593434
CID 54593434
CID 62954172
CID 62954172
CID 87566391
CID 87566391
CID 357729
CID 357729
CID 14018930
CID 14018930
CID 357715
CID 357715
CID 13594882
CID 13594882
CID 14859121
CID 14859121
CID 90476080
CID 90476080

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate?
The IUPAC name of ethyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate (CID 10987718) is ethyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate.
What is the SMILES notation for ethyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate?
The canonical SMILES for ethyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate is CCOC(=O)CN(C)C(=O)OC(C)(C)C.
What is the InChIKey of ethyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate?
The InChIKey is ROHJMICRGOFIBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-6-14-8(12)7-11(5)9(13)15-10(2,3)4/h6-7H2,1-5H3.
What are the key properties of ethyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate?
ethyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate has a molecular weight of 217.26 g/mol, XLogP of 1.42, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate is sourced from PubChem (CID 10987718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).