tert-butyl (2S)-2-(3-methoxy-3-oxopropyl)morpholine-4-carboxylate

C13H23NO5 — CID 172685456

IUPACtert-butyl (2S)-2-(3-methoxy-3-oxopropyl)morpholine-4-carboxylate
SMILESCOC(=O)CC[C@H]1CN(C(=O)OC(C)(C)C)CCO1
InChIInChI=1S/C13H23NO5/c1-13(2,3)19-12(16)14-7-8-18-10(9-14)5-6-11(15)17-4/h10H,5-9H2,1-4H3/t10-/m0/s1
InChIKeyAZBCKLJDJXXDAU-JTQLQIEISA-N
MW273.33 g/mol
LogP1.58
Rot. Bonds3

About tert-butyl (2S)-2-(3-methoxy-3-oxopropyl)morpholine-4-carboxylate

tert-butyl (2S)-2-(3-methoxy-3-oxopropyl)morpholine-4-carboxylate (PubChem CID 172685456) has the molecular formula C13H23NO5 and a molecular weight of 273.33 g/mol. Its IUPAC name is tert-butyl (2S)-2-(3-methoxy-3-oxopropyl)morpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S)-2-(3-methoxy-3-oxopropyl)morpholine-4-carboxylate
PubChem CID172685456
Molecular FormulaC13H23NO5
Molecular Weight273.33 g/mol
Exact Mass273.16
IUPAC Nametert-butyl (2S)-2-(3-methoxy-3-oxopropyl)morpholine-4-carboxylate
SMILESCOC(=O)CC[C@H]1CN(C(=O)OC(C)(C)C)CCO1
InChIInChI=1S/C13H23NO5/c1-13(2,3)19-12(16)14-7-8-18-10(9-14)5-6-11(15)17-4/h10H,5-9H2,1-4H3/t10-/m0/s1
InChIKeyAZBCKLJDJXXDAU-JTQLQIEISA-N
XLogP1.58
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 2-(3-amino-3-oxopropyl)morpholine-4-carboxylate
CID 175429162
tert-butyl 2-(aminomethyl)morpholine-4-carboxylate
CID 19081094
tert-butyl (2S)-2-(hydroxymethyl)morpholine-4-carboxylate;tert-butyl (2R)-2-(hydroxymethyl)morpholine-4-carboxylate
CID 86593644
tert-butyl (2S)-2-(hydroxymethyl)morpholine-4-carboxylate;tert-butyl 3-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 160517937
tert-butyl (2S)-2-ethylmorpholine-4-carboxylate;1,3,5-trichloro-1,3,5-triazinane-2,4,6-trione
CID 123628570
tert-butyl 7-ethyl-1,4-oxazepane-4-carboxylate
CID 159190237
2-[4-[(2-methylpropan-2-yl)oxycarbonyl]-1,4-oxazepan-2-yl]acetic acid
CID 177337580
tert-butyl 3-(2-methoxy-2-oxoethyl)pyrrolidine-1-carboxylate
CID 22184663
2-methylpropyl 2-(2-methoxy-2-oxoethyl)morpholine-4-carboxylate
CID 113330714
tert-butyl 2-[(benzylamino)methyl]morpholine-4-carboxylate
CID 24730238
tert-butyl 2-[(2-hydroxyphenyl)methyl]morpholine-4-carboxylate
CID 77221533
(2S)-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylate
CID 35549476

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-(3-methoxy-3-oxopropyl)morpholine-4-carboxylate?
The IUPAC name of tert-butyl (2S)-2-(3-methoxy-3-oxopropyl)morpholine-4-carboxylate (CID 172685456) is tert-butyl (2S)-2-(3-methoxy-3-oxopropyl)morpholine-4-carboxylate.
What is the SMILES notation for tert-butyl (2S)-2-(3-methoxy-3-oxopropyl)morpholine-4-carboxylate?
The canonical SMILES for tert-butyl (2S)-2-(3-methoxy-3-oxopropyl)morpholine-4-carboxylate is COC(=O)CC[C@H]1CN(C(=O)OC(C)(C)C)CCO1.
What is the InChIKey of tert-butyl (2S)-2-(3-methoxy-3-oxopropyl)morpholine-4-carboxylate?
The InChIKey is AZBCKLJDJXXDAU-JTQLQIEISA-N. The full InChI is InChI=1S/C13H23NO5/c1-13(2,3)19-12(16)14-7-8-18-10(9-14)5-6-11(15)17-4/h10H,5-9H2,1-4H3/t10-/m0/s1.
What are the key properties of tert-butyl (2S)-2-(3-methoxy-3-oxopropyl)morpholine-4-carboxylate?
tert-butyl (2S)-2-(3-methoxy-3-oxopropyl)morpholine-4-carboxylate has a molecular weight of 273.33 g/mol, XLogP of 1.58, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2-(3-methoxy-3-oxopropyl)morpholine-4-carboxylate is sourced from PubChem (CID 172685456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).