tert-butyl 3-carbamoylmorpholine-4-carboxylate

C10H18N2O4 — CID 21098189

IUPACtert-butyl 3-carbamoylmorpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCOCC1C(N)=O
InChIInChI=1S/C10H18N2O4/c1-10(2,3)16-9(14)12-4-5-15-6-7(12)8(11)13/h7H,4-6H2,1-3H3,(H2,11,13)
InChIKeyAMDFBQXRVZTTKM-UHFFFAOYSA-N
MW230.26 g/mol
LogP0.11
Rot. Bonds1

About tert-butyl 3-carbamoylmorpholine-4-carboxylate

tert-butyl 3-carbamoylmorpholine-4-carboxylate (PubChem CID 21098189) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is tert-butyl 3-carbamoylmorpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-carbamoylmorpholine-4-carboxylate
PubChem CID21098189
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Nametert-butyl 3-carbamoylmorpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCOCC1C(N)=O
InChIInChI=1S/C10H18N2O4/c1-10(2,3)16-9(14)12-4-5-15-6-7(12)8(11)13/h7H,4-6H2,1-3H3,(H2,11,13)
InChIKeyAMDFBQXRVZTTKM-UHFFFAOYSA-N
XLogP0.11
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-carbamoylmorpholine-4-carboxylate?
The IUPAC name of tert-butyl 3-carbamoylmorpholine-4-carboxylate (CID 21098189) is tert-butyl 3-carbamoylmorpholine-4-carboxylate.
What is the SMILES notation for tert-butyl 3-carbamoylmorpholine-4-carboxylate?
The canonical SMILES for tert-butyl 3-carbamoylmorpholine-4-carboxylate is CC(C)(C)OC(=O)N1CCOCC1C(N)=O.
What is the InChIKey of tert-butyl 3-carbamoylmorpholine-4-carboxylate?
The InChIKey is AMDFBQXRVZTTKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-10(2,3)16-9(14)12-4-5-15-6-7(12)8(11)13/h7H,4-6H2,1-3H3,(H2,11,13).
What are the key properties of tert-butyl 3-carbamoylmorpholine-4-carboxylate?
tert-butyl 3-carbamoylmorpholine-4-carboxylate has a molecular weight of 230.26 g/mol, XLogP of 0.11, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-carbamoylmorpholine-4-carboxylate is sourced from PubChem (CID 21098189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).