tert-butyl 3-[(1R)-1-amino-2-methoxy-2-oxoethyl]azetidine-1-carboxylate

C11H20N2O4 — CID 124585912

IUPACtert-butyl 3-[(1R)-1-amino-2-methoxy-2-oxoethyl]azetidine-1-carboxylate
SMILESCOC(=O)[C@H](N)C1CN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C11H20N2O4/c1-11(2,3)17-10(15)13-5-7(6-13)8(12)9(14)16-4/h7-8H,5-6,12H2,1-4H3/t8-/m1/s1
InChIKeyHGSNWIDVQSMJKV-MRVPVSSYSA-N
MW244.29 g/mol
LogP0.35
Rot. Bonds2

About tert-butyl 3-[(1R)-1-amino-2-methoxy-2-oxoethyl]azetidine-1-carboxylate

tert-butyl 3-[(1R)-1-amino-2-methoxy-2-oxoethyl]azetidine-1-carboxylate (PubChem CID 124585912) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is tert-butyl 3-[(1R)-1-amino-2-methoxy-2-oxoethyl]azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[(1R)-1-amino-2-methoxy-2-oxoethyl]azetidine-1-carboxylate
PubChem CID124585912
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Nametert-butyl 3-[(1R)-1-amino-2-methoxy-2-oxoethyl]azetidine-1-carboxylate
SMILESCOC(=O)[C@H](N)C1CN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C11H20N2O4/c1-11(2,3)17-10(15)13-5-7(6-13)8(12)9(14)16-4/h7-8H,5-6,12H2,1-4H3/t8-/m1/s1
InChIKeyHGSNWIDVQSMJKV-MRVPVSSYSA-N
XLogP0.35
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 3-(1-amino-2-methoxy-2-oxoethyl)pyrrolidine-1-carboxylate
CID 24730213
tert-butyl 3-[(1R)-1-aminoethyl]azetidine-1-carboxylate
CID 86332880
tert-butyl 3-(1-chloroethyl)azetidine-1-carboxylate
CID 71633200
tert-butyl 3-[(1R)-1-(propan-2-ylamino)ethyl]azetidine-1-carboxylate
CID 97174928
tert-butyl 3-(1-amino-2-hydroxyethyl)azetidine-1-carboxylate
CID 83910033
tert-butyl 3-(3-hydroxybutan-2-yl)azetidine-1-carboxylate
CID 135396451
tert-butyl 3-[(R)-amino(cyclobutyl)methyl]azetidine-1-carboxylate
CID 124665922
tert-butyl 4-[(2S)-1-methoxy-1-oxopropan-2-yl]piperidine-1-carboxylate
CID 124583757
tert-butyl 4-[(2R)-1-methoxy-1-oxopropan-2-yl]piperidine-1-carboxylate
CID 124583758
tert-butyl 3-[(2R)-1-ethoxy-1-oxopropan-2-yl]azetidine-1-carboxylate
CID 97300225
tert-butyl 3-propan-2-yloxyazetidine-1-carboxylate
CID 59346870
1-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]ethanesulfinate
CID 58348292

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[(1R)-1-amino-2-methoxy-2-oxoethyl]azetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[(1R)-1-amino-2-methoxy-2-oxoethyl]azetidine-1-carboxylate (CID 124585912) is tert-butyl 3-[(1R)-1-amino-2-methoxy-2-oxoethyl]azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[(1R)-1-amino-2-methoxy-2-oxoethyl]azetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[(1R)-1-amino-2-methoxy-2-oxoethyl]azetidine-1-carboxylate is COC(=O)[C@H](N)C1CN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 3-[(1R)-1-amino-2-methoxy-2-oxoethyl]azetidine-1-carboxylate?
The InChIKey is HGSNWIDVQSMJKV-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-11(2,3)17-10(15)13-5-7(6-13)8(12)9(14)16-4/h7-8H,5-6,12H2,1-4H3/t8-/m1/s1.
What are the key properties of tert-butyl 3-[(1R)-1-amino-2-methoxy-2-oxoethyl]azetidine-1-carboxylate?
tert-butyl 3-[(1R)-1-amino-2-methoxy-2-oxoethyl]azetidine-1-carboxylate has a molecular weight of 244.29 g/mol, XLogP of 0.35, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[(1R)-1-amino-2-methoxy-2-oxoethyl]azetidine-1-carboxylate is sourced from PubChem (CID 124585912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).