methyl 2-[di(propan-2-yl)carbamoyl]morpholine-4-carboxylate

C13H24N2O4 — CID 22958998

IUPACmethyl 2-[di(propan-2-yl)carbamoyl]morpholine-4-carboxylate
SMILESCOC(=O)N1CCOC(C(=O)N(C(C)C)C(C)C)C1
InChIInChI=1S/C13H24N2O4/c1-9(2)15(10(3)4)12(16)11-8-14(6-7-19-11)13(17)18-5/h9-11H,6-8H2,1-5H3
InChIKeySXKQBDFZYRFFJJ-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.10
Rot. Bonds3

About methyl 2-[di(propan-2-yl)carbamoyl]morpholine-4-carboxylate

methyl 2-[di(propan-2-yl)carbamoyl]morpholine-4-carboxylate (PubChem CID 22958998) has the molecular formula C13H24N2O4 and a molecular weight of 272.35 g/mol. Its IUPAC name is methyl 2-[di(propan-2-yl)carbamoyl]morpholine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[di(propan-2-yl)carbamoyl]morpholine-4-carboxylate
PubChem CID22958998
Molecular FormulaC13H24N2O4
Molecular Weight272.35 g/mol
Exact Mass272.17
IUPAC Namemethyl 2-[di(propan-2-yl)carbamoyl]morpholine-4-carboxylate
SMILESCOC(=O)N1CCOC(C(=O)N(C(C)C)C(C)C)C1
InChIInChI=1S/C13H24N2O4/c1-9(2)15(10(3)4)12(16)11-8-14(6-7-19-11)13(17)18-5/h9-11H,6-8H2,1-5H3
InChIKeySXKQBDFZYRFFJJ-UHFFFAOYSA-N
XLogP1.10
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (2S)-2-carbamoylmorpholine-4-carboxylate
CID 66577075
Tert-butyl (2R)-2-[[methoxy(methyl)amino]carbonyl]-4-morpholinecarboxylate
CID 59598472
(3-fluoroazetidin-1-yl)-[(2R)-4-propan-2-ylmorpholin-2-yl]methanone
CID 177158657
3-(3-(2,6-Dimethyl-4-morpholinyl)propyl)-2,4-oxazolidinedione
CID 3029644
6-Methyl-4-propan-2-ylmorpholin-3-one
CID 14382399
Methyl 2-[[di(propan-2-yl)amino]methyl]morpholine-4-carboxylate
CID 22958997
t-Butyl 2-[(diethylamino)carbonyl]morpholine-4-carboxylate
CID 23112247
4-(2-Methoxyacetyl)morpholine-2-carboxamide
CID 49419415
Tert-butyl 2-(methoxy(methyl)carbamoyl)morpholine-4-carboxylate
CID 57449675
tert-butyl (5R)-2,2,5-trimethyl-3-oxomorpholine-4-carboxylate
CID 57974040
tert-butyl (2R,5R)-2-ethyl-5-methyl-3-oxomorpholine-4-carboxylate
CID 57974091
2-[(2R,5R)-2,5-dimethyl-3-oxomorpholin-4-yl]acetic acid
CID 57974095

Frequently Asked Questions

What is the IUPAC name of methyl 2-[di(propan-2-yl)carbamoyl]morpholine-4-carboxylate?
The IUPAC name of methyl 2-[di(propan-2-yl)carbamoyl]morpholine-4-carboxylate (CID 22958998) is methyl 2-[di(propan-2-yl)carbamoyl]morpholine-4-carboxylate.
What is the SMILES notation for methyl 2-[di(propan-2-yl)carbamoyl]morpholine-4-carboxylate?
The canonical SMILES for methyl 2-[di(propan-2-yl)carbamoyl]morpholine-4-carboxylate is COC(=O)N1CCOC(C(=O)N(C(C)C)C(C)C)C1.
What is the InChIKey of methyl 2-[di(propan-2-yl)carbamoyl]morpholine-4-carboxylate?
The InChIKey is SXKQBDFZYRFFJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-9(2)15(10(3)4)12(16)11-8-14(6-7-19-11)13(17)18-5/h9-11H,6-8H2,1-5H3.
What are the key properties of methyl 2-[di(propan-2-yl)carbamoyl]morpholine-4-carboxylate?
methyl 2-[di(propan-2-yl)carbamoyl]morpholine-4-carboxylate has a molecular weight of 272.35 g/mol, XLogP of 1.10, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[di(propan-2-yl)carbamoyl]morpholine-4-carboxylate is sourced from PubChem (CID 22958998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).