ethyl N-[(4R)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]carbamate

C9H16N2O4 — CID 11557569

IUPACethyl N-[(4R)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]carbamate
SMILESCCOC(=O)NN1C(=O)OC[C@H]1C(C)C
InChIInChI=1S/C9H16N2O4/c1-4-14-8(12)10-11-7(6(2)3)5-15-9(11)13/h6-7H,4-5H2,1-3H3,(H,10,12)/t7-/m0/s1
InChIKeyUNDQBUOVSUHRSZ-ZETCQYMHSA-N
MW216.24 g/mol
LogP1.12
Rot. Bonds3

About ethyl N-[(4R)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]carbamate

ethyl N-[(4R)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]carbamate (PubChem CID 11557569) has the molecular formula C9H16N2O4 and a molecular weight of 216.24 g/mol. Its IUPAC name is ethyl N-[(4R)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[(4R)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]carbamate
PubChem CID11557569
Molecular FormulaC9H16N2O4
Molecular Weight216.24 g/mol
Exact Mass216.11
IUPAC Nameethyl N-[(4R)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]carbamate
SMILESCCOC(=O)NN1C(=O)OC[C@H]1C(C)C
InChIInChI=1S/C9H16N2O4/c1-4-14-8(12)10-11-7(6(2)3)5-15-9(11)13/h6-7H,4-5H2,1-3H3,(H,10,12)/t7-/m0/s1
InChIKeyUNDQBUOVSUHRSZ-ZETCQYMHSA-N
XLogP1.12
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[(4R)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]carbamate?
The IUPAC name of ethyl N-[(4R)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]carbamate (CID 11557569) is ethyl N-[(4R)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]carbamate.
What is the SMILES notation for ethyl N-[(4R)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]carbamate?
The canonical SMILES for ethyl N-[(4R)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]carbamate is CCOC(=O)NN1C(=O)OC[C@H]1C(C)C.
What is the InChIKey of ethyl N-[(4R)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]carbamate?
The InChIKey is UNDQBUOVSUHRSZ-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H16N2O4/c1-4-14-8(12)10-11-7(6(2)3)5-15-9(11)13/h6-7H,4-5H2,1-3H3,(H,10,12)/t7-/m0/s1.
What are the key properties of ethyl N-[(4R)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]carbamate?
ethyl N-[(4R)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]carbamate has a molecular weight of 216.24 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(4R)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]carbamate is sourced from PubChem (CID 11557569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).