ethyl [1-oxo-1-(propan-2-ylamino)propan-2-yl] carbonate

C9H17NO4 — CID 176773342

IUPACethyl [1-oxo-1-(propan-2-ylamino)propan-2-yl] carbonate
SMILESCCOC(=O)OC(C)C(=O)NC(C)C
InChIInChI=1S/C9H17NO4/c1-5-13-9(12)14-7(4)8(11)10-6(2)3/h6-7H,5H2,1-4H3,(H,10,11)
InChIKeyZRQRHVVXCUGAOD-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.07
Rot. Bonds4

About ethyl [1-oxo-1-(propan-2-ylamino)propan-2-yl] carbonate

ethyl [1-oxo-1-(propan-2-ylamino)propan-2-yl] carbonate (PubChem CID 176773342) has the molecular formula C9H17NO4 and a molecular weight of 203.24 g/mol. Its IUPAC name is ethyl [1-oxo-1-(propan-2-ylamino)propan-2-yl] carbonate.

Molecular Properties

Compound Nameethyl [1-oxo-1-(propan-2-ylamino)propan-2-yl] carbonate
PubChem CID176773342
Molecular FormulaC9H17NO4
Molecular Weight203.24 g/mol
Exact Mass203.12
IUPAC Nameethyl [1-oxo-1-(propan-2-ylamino)propan-2-yl] carbonate
SMILESCCOC(=O)OC(C)C(=O)NC(C)C
InChIInChI=1S/C9H17NO4/c1-5-13-9(12)14-7(4)8(11)10-6(2)3/h6-7H,5H2,1-4H3,(H,10,11)
InChIKeyZRQRHVVXCUGAOD-UHFFFAOYSA-N
XLogP1.07
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl [1-oxo-1-(propan-2-ylamino)propan-2-yl] carbonate?
The IUPAC name of ethyl [1-oxo-1-(propan-2-ylamino)propan-2-yl] carbonate (CID 176773342) is ethyl [1-oxo-1-(propan-2-ylamino)propan-2-yl] carbonate.
What is the SMILES notation for ethyl [1-oxo-1-(propan-2-ylamino)propan-2-yl] carbonate?
The canonical SMILES for ethyl [1-oxo-1-(propan-2-ylamino)propan-2-yl] carbonate is CCOC(=O)OC(C)C(=O)NC(C)C.
What is the InChIKey of ethyl [1-oxo-1-(propan-2-ylamino)propan-2-yl] carbonate?
The InChIKey is ZRQRHVVXCUGAOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO4/c1-5-13-9(12)14-7(4)8(11)10-6(2)3/h6-7H,5H2,1-4H3,(H,10,11).
What are the key properties of ethyl [1-oxo-1-(propan-2-ylamino)propan-2-yl] carbonate?
ethyl [1-oxo-1-(propan-2-ylamino)propan-2-yl] carbonate has a molecular weight of 203.24 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl [1-oxo-1-(propan-2-ylamino)propan-2-yl] carbonate is sourced from PubChem (CID 176773342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).