tert-butyl N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]carbamate

C12H22N2O4 — CID 15458722

IUPACtert-butyl N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]carbamate
SMILESC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOCC1
InChIInChI=1S/C12H22N2O4/c1-9(13-11(16)18-12(2,3)4)10(15)14-5-7-17-8-6-14/h9H,5-8H2,1-4H3,(H,13,16)/t9-/m0/s1
InChIKeyVVUCMCKOTBEULW-VIFPVBQESA-N
MW258.32 g/mol
LogP0.76
Rot. Bonds2

About tert-butyl N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]carbamate

tert-butyl N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]carbamate (PubChem CID 15458722) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is tert-butyl N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]carbamate
PubChem CID15458722
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Nametert-butyl N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]carbamate
SMILESC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOCC1
InChIInChI=1S/C12H22N2O4/c1-9(13-11(16)18-12(2,3)4)10(15)14-5-7-17-8-6-14/h9H,5-8H2,1-4H3,(H,13,16)/t9-/m0/s1
InChIKeyVVUCMCKOTBEULW-VIFPVBQESA-N
XLogP0.76
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]carbamate (CID 15458722) is tert-butyl N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]carbamate is C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOCC1.
What is the InChIKey of tert-butyl N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]carbamate?
The InChIKey is VVUCMCKOTBEULW-VIFPVBQESA-N. The full InChI is InChI=1S/C12H22N2O4/c1-9(13-11(16)18-12(2,3)4)10(15)14-5-7-17-8-6-14/h9H,5-8H2,1-4H3,(H,13,16)/t9-/m0/s1.
What are the key properties of tert-butyl N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]carbamate?
tert-butyl N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]carbamate has a molecular weight of 258.32 g/mol, XLogP of 0.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 15458722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).