tert-butyl 2-(3-amino-3-oxopropyl)morpholine-4-carboxylate

C12H22N2O4 — CID 175429162

IUPACtert-butyl 2-(3-amino-3-oxopropyl)morpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCOC(CCC(N)=O)C1
InChIInChI=1S/C12H22N2O4/c1-12(2,3)18-11(16)14-6-7-17-9(8-14)4-5-10(13)15/h9H,4-8H2,1-3H3,(H2,13,15)
InChIKeyIBSQGKGFKYPCMB-UHFFFAOYSA-N
MW258.32 g/mol
LogP0.89
Rot. Bonds3

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

tert-butyl 2-(3-amino-3-oxopropyl)morpholine-4-carboxylate (PubChem CID 175429162) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is tert-butyl 2-(3-amino-3-oxopropyl)morpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(3-amino-3-oxopropyl)morpholine-4-carboxylate
PubChem CID175429162
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Nametert-butyl 2-(3-amino-3-oxopropyl)morpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCOC(CCC(N)=O)C1
InChIInChI=1S/C12H22N2O4/c1-12(2,3)18-11(16)14-6-7-17-9(8-14)4-5-10(13)15/h9H,4-8H2,1-3H3,(H2,13,15)
InChIKeyIBSQGKGFKYPCMB-UHFFFAOYSA-N
XLogP0.89
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 2-(aminomethyl)morpholine-4-carboxylate
CID 19081094
tert-butyl (2S)-2-(3-methoxy-3-oxopropyl)morpholine-4-carboxylate
CID 172685456
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 2-[(4-aminopyrazol-1-yl)methyl]morpholine-4-carboxylate
CID 118023184
tert-butyl 2-[(2-hydroxyphenyl)methyl]morpholine-4-carboxylate
CID 77221533
(2S)-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylate
CID 35549476
tert-butyl (2R)-2-[(2-oxo-4-sulfanylpyrrolidin-1-yl)methyl]morpholine-4-carboxylate
CID 168707579
lithium (2R)-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylate
CID 134859282

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(3-amino-3-oxopropyl)morpholine-4-carboxylate?
The IUPAC name of tert-butyl 2-(3-amino-3-oxopropyl)morpholine-4-carboxylate (CID 175429162) is tert-butyl 2-(3-amino-3-oxopropyl)morpholine-4-carboxylate.
What is the SMILES notation for tert-butyl 2-(3-amino-3-oxopropyl)morpholine-4-carboxylate?
The canonical SMILES for tert-butyl 2-(3-amino-3-oxopropyl)morpholine-4-carboxylate is CC(C)(C)OC(=O)N1CCOC(CCC(N)=O)C1.
What is the InChIKey of tert-butyl 2-(3-amino-3-oxopropyl)morpholine-4-carboxylate?
The InChIKey is IBSQGKGFKYPCMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-12(2,3)18-11(16)14-6-7-17-9(8-14)4-5-10(13)15/h9H,4-8H2,1-3H3,(H2,13,15).
What are the key properties of tert-butyl 2-(3-amino-3-oxopropyl)morpholine-4-carboxylate?
tert-butyl 2-(3-amino-3-oxopropyl)morpholine-4-carboxylate has a molecular weight of 258.32 g/mol, XLogP of 0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(3-amino-3-oxopropyl)morpholine-4-carboxylate is sourced from PubChem (CID 175429162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).