tert-butyl 3-(morpholin-2-ylmethylcarbamoyl)azetidine-1-carboxylate

C14H25N3O4 — CID 142435710

IUPACtert-butyl 3-(morpholin-2-ylmethylcarbamoyl)azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(C(=O)NCC2CNCCO2)C1
InChIInChI=1S/C14H25N3O4/c1-14(2,3)21-13(19)17-8-10(9-17)12(18)16-7-11-6-15-4-5-20-11/h10-11,15H,4-9H2,1-3H3,(H,16,18)
InChIKeyAGMYLKGLGXGLGA-UHFFFAOYSA-N
MW299.37 g/mol
LogP-0.04
Rot. Bonds3

About tert-butyl 3-(morpholin-2-ylmethylcarbamoyl)azetidine-1-carboxylate

tert-butyl 3-(morpholin-2-ylmethylcarbamoyl)azetidine-1-carboxylate (PubChem CID 142435710) has the molecular formula C14H25N3O4 and a molecular weight of 299.37 g/mol. Its IUPAC name is tert-butyl 3-(morpholin-2-ylmethylcarbamoyl)azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(morpholin-2-ylmethylcarbamoyl)azetidine-1-carboxylate
PubChem CID142435710
Molecular FormulaC14H25N3O4
Molecular Weight299.37 g/mol
Exact Mass299.18
IUPAC Nametert-butyl 3-(morpholin-2-ylmethylcarbamoyl)azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(C(=O)NCC2CNCCO2)C1
InChIInChI=1S/C14H25N3O4/c1-14(2,3)21-13(19)17-8-10(9-17)12(18)16-7-11-6-15-4-5-20-11/h10-11,15H,4-9H2,1-3H3,(H,16,18)
InChIKeyAGMYLKGLGXGLGA-UHFFFAOYSA-N
XLogP-0.04
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[[(2S)-morpholin-2-yl]methyl]carbamate
CID 42556133
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CID 41242425
benzyl N-(morpholin-2-ylmethyl)carbamate;tert-butyl 2-(phenylmethoxycarbonylaminomethyl)morpholine-4-carboxylate;dihydrochloride
CID 160880522
4-methyl-N-(morpholin-2-ylmethyl)pentanamide
CID 43603056
N-(morpholin-2-ylmethyl)-1,1-dioxothiolane-3-carboxamide
CID 64912127
tert-butyl N-[(4-benzylmorpholin-2-yl)methyl]carbamate;tert-butyl N-(morpholin-2-ylmethyl)carbamate
CID 159216706
tert-butyl 3-[2-(diethylamino)ethylcarbamoyl]azetidine-1-carboxylate
CID 178059577
tert-butyl (5aR,9aR)-3,4,5,5a,6,7,9,9a-octahydro-2H-pyrido[4,3-f][1,4]oxazepine-8-carboxylate
CID 124703831
tert-butyl (3aR,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxylate
CID 6558904
tert-butyl 9-oxa-3,7-diazabicyclo[3.3.1]nonane-3-carboxylate
CID 18540412
2,2,2-trifluoro-N-(morpholin-2-ylmethyl)acetamide;hydrochloride
CID 14839574
tert-butyl 3-[[(3S)-pyrrolidin-3-yl]amino]azetidine-1-carboxylate
CID 67289806

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(morpholin-2-ylmethylcarbamoyl)azetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(morpholin-2-ylmethylcarbamoyl)azetidine-1-carboxylate (CID 142435710) is tert-butyl 3-(morpholin-2-ylmethylcarbamoyl)azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(morpholin-2-ylmethylcarbamoyl)azetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(morpholin-2-ylmethylcarbamoyl)azetidine-1-carboxylate is CC(C)(C)OC(=O)N1CC(C(=O)NCC2CNCCO2)C1.
What is the InChIKey of tert-butyl 3-(morpholin-2-ylmethylcarbamoyl)azetidine-1-carboxylate?
The InChIKey is AGMYLKGLGXGLGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O4/c1-14(2,3)21-13(19)17-8-10(9-17)12(18)16-7-11-6-15-4-5-20-11/h10-11,15H,4-9H2,1-3H3,(H,16,18).
What are the key properties of tert-butyl 3-(morpholin-2-ylmethylcarbamoyl)azetidine-1-carboxylate?
tert-butyl 3-(morpholin-2-ylmethylcarbamoyl)azetidine-1-carboxylate has a molecular weight of 299.37 g/mol, XLogP of -0.04, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(morpholin-2-ylmethylcarbamoyl)azetidine-1-carboxylate is sourced from PubChem (CID 142435710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).