tert-butyl 3-[(1R)-1-aminoethyl]azetidine-1-carboxylate

C10H20N2O2 — CID 86332880

IUPACtert-butyl 3-[(1R)-1-aminoethyl]azetidine-1-carboxylate
SMILESC[C@@H](N)C1CN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C10H20N2O2/c1-7(11)8-5-12(6-8)9(13)14-10(2,3)4/h7-8H,5-6,11H2,1-4H3/t7-/m1/s1
InChIKeyJSURSCDQTBSUPP-SSDOTTSWSA-N
MW200.28 g/mol
LogP1.20
Rot. Bonds1

About tert-butyl 3-[(1R)-1-aminoethyl]azetidine-1-carboxylate

tert-butyl 3-[(1R)-1-aminoethyl]azetidine-1-carboxylate (PubChem CID 86332880) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is tert-butyl 3-[(1R)-1-aminoethyl]azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[(1R)-1-aminoethyl]azetidine-1-carboxylate
PubChem CID86332880
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Nametert-butyl 3-[(1R)-1-aminoethyl]azetidine-1-carboxylate
SMILESC[C@@H](N)C1CN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C10H20N2O2/c1-7(11)8-5-12(6-8)9(13)14-10(2,3)4/h7-8H,5-6,11H2,1-4H3/t7-/m1/s1
InChIKeyJSURSCDQTBSUPP-SSDOTTSWSA-N
XLogP1.20
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 3-[(1R)-1-amino-2-methoxy-2-oxoethyl]azetidine-1-carboxylate
CID 124585912
tert-butyl 3-(1-chloroethyl)azetidine-1-carboxylate
CID 71633200
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 5-(1-aminoethyl)azocane-1-carboxylate
CID 166746033
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
tert-butyl 3-[(1R)-1-(propan-2-ylamino)ethyl]azetidine-1-carboxylate
CID 97174928
1-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]ethanesulfinate
CID 58348292
2-hydroxy-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acid
CID 58520870
tert-butyl 3-[(S)-cyclopropyl(hydroxy)methyl]azetidine-1-carboxylate
CID 154703134

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[(1R)-1-aminoethyl]azetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[(1R)-1-aminoethyl]azetidine-1-carboxylate (CID 86332880) is tert-butyl 3-[(1R)-1-aminoethyl]azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[(1R)-1-aminoethyl]azetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[(1R)-1-aminoethyl]azetidine-1-carboxylate is C[C@@H](N)C1CN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 3-[(1R)-1-aminoethyl]azetidine-1-carboxylate?
The InChIKey is JSURSCDQTBSUPP-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-7(11)8-5-12(6-8)9(13)14-10(2,3)4/h7-8H,5-6,11H2,1-4H3/t7-/m1/s1.
What are the key properties of tert-butyl 3-[(1R)-1-aminoethyl]azetidine-1-carboxylate?
tert-butyl 3-[(1R)-1-aminoethyl]azetidine-1-carboxylate has a molecular weight of 200.28 g/mol, XLogP of 1.20, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[(1R)-1-aminoethyl]azetidine-1-carboxylate is sourced from PubChem (CID 86332880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).