2-oxoethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate

C9H15NO5 — CID 87269499

IUPAC2-oxoethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
SMILESCC(C)(C)OC(=O)NCC(=O)OCC=O
InChIInChI=1S/C9H15NO5/c1-9(2,3)15-8(13)10-6-7(12)14-5-4-11/h4H,5-6H2,1-3H3,(H,10,13)
InChIKeyRUROIPQLKSLFCG-UHFFFAOYSA-N
MW217.22 g/mol
LogP0.25
Rot. Bonds4

About 2-oxoethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate

2-oxoethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate (PubChem CID 87269499) has the molecular formula C9H15NO5 and a molecular weight of 217.22 g/mol. Its IUPAC name is 2-oxoethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate.

Molecular Properties

Compound Name2-oxoethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
PubChem CID87269499
Molecular FormulaC9H15NO5
Molecular Weight217.22 g/mol
Exact Mass217.10
IUPAC Name2-oxoethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
SMILESCC(C)(C)OC(=O)NCC(=O)OCC=O
InChIInChI=1S/C9H15NO5/c1-9(2,3)15-8(13)10-6-7(12)14-5-4-11/h4H,5-6H2,1-3H3,(H,10,13)
InChIKeyRUROIPQLKSLFCG-UHFFFAOYSA-N
XLogP0.25
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

[(E)-but-2-enyl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 5386709
2-oxoethyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]acetate
CID 171573311
3-ethylpent-2-enyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 11357744
[(E)-3-trimethylsilylprop-2-enyl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 11426223
[(E)-3-cyclopropylprop-2-enyl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 168982002
2-methylpropyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 58333495
[(E)-3-phenylprop-2-enyl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 5386708
2-(hydrazinecarbonyloxy)ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 135302819
methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate;propane
CID 144755686
[4-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]oxymethyl]phenyl]methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 11004906
tert-butyl N-[3-hydroxy-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]prop-2-enyl]carbamate
CID 89001171
4-nitrooxybutyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 59287782

Frequently Asked Questions

What is the IUPAC name of 2-oxoethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate?
The IUPAC name of 2-oxoethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate (CID 87269499) is 2-oxoethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate.
What is the SMILES notation for 2-oxoethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate?
The canonical SMILES for 2-oxoethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate is CC(C)(C)OC(=O)NCC(=O)OCC=O.
What is the InChIKey of 2-oxoethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate?
The InChIKey is RUROIPQLKSLFCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO5/c1-9(2,3)15-8(13)10-6-7(12)14-5-4-11/h4H,5-6H2,1-3H3,(H,10,13).
What are the key properties of 2-oxoethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate?
2-oxoethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate has a molecular weight of 217.22 g/mol, XLogP of 0.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxoethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate is sourced from PubChem (CID 87269499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).