tert-butyl 3-(1-amino-2-hydroxyethyl)azetidine-1-carboxylate

C10H20N2O3 — CID 83910033

IUPACtert-butyl 3-(1-amino-2-hydroxyethyl)azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(C(N)CO)C1
InChIInChI=1S/C10H20N2O3/c1-10(2,3)15-9(14)12-4-7(5-12)8(11)6-13/h7-8,13H,4-6,11H2,1-3H3
InChIKeyXRUGMVTYDABRQS-UHFFFAOYSA-N
MW216.28 g/mol
LogP0.17
Rot. Bonds2

About tert-butyl 3-(1-amino-2-hydroxyethyl)azetidine-1-carboxylate

tert-butyl 3-(1-amino-2-hydroxyethyl)azetidine-1-carboxylate (PubChem CID 83910033) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is tert-butyl 3-(1-amino-2-hydroxyethyl)azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(1-amino-2-hydroxyethyl)azetidine-1-carboxylate
PubChem CID83910033
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Nametert-butyl 3-(1-amino-2-hydroxyethyl)azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(C(N)CO)C1
InChIInChI=1S/C10H20N2O3/c1-10(2,3)15-9(14)12-4-7(5-12)8(11)6-13/h7-8,13H,4-6,11H2,1-3H3
InChIKeyXRUGMVTYDABRQS-UHFFFAOYSA-N
XLogP0.17
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-[3-[(1S)-1-amino-2-hydroxyethyl]azetidin-1-yl]piperidine-1-carboxylate
CID 97103021
tert-butyl 3-[(1R)-1-aminoethyl]azetidine-1-carboxylate
CID 86332880
tert-butyl 3-[(2R)-2-amino-3-hydroxypropyl]azetidine-1-carboxylate
CID 166149628
tert-butyl 3-[(1R)-1-amino-2-methoxy-2-oxoethyl]azetidine-1-carboxylate
CID 124585912
tert-butyl 3-[(R)-amino(cyclobutyl)methyl]azetidine-1-carboxylate
CID 124665922
tert-butyl 3-(3-amino-1-fluoropropyl)azetidine-1-carboxylate
CID 105491312
tert-butyl 4-(2-amino-3-hydroxypropyl)piperidine-1-carboxylate;tert-butyl 3-(hydroxymethyl)azetidine-1-carboxylate
CID 166756850
tert-butyl 3-[(2R)-1-ethoxy-1-oxopropan-2-yl]azetidine-1-carboxylate
CID 97300225
tert-butyl 3-(1-chloroethyl)azetidine-1-carboxylate
CID 71633200
tert-butyl (3S,4S)-3,4-bis(hydroxymethyl)pyrrolidine-1-carboxylate
CID 59512458
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-(1-amino-2-hydroxyethyl)azetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(1-amino-2-hydroxyethyl)azetidine-1-carboxylate (CID 83910033) is tert-butyl 3-(1-amino-2-hydroxyethyl)azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(1-amino-2-hydroxyethyl)azetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(1-amino-2-hydroxyethyl)azetidine-1-carboxylate is CC(C)(C)OC(=O)N1CC(C(N)CO)C1.
What is the InChIKey of tert-butyl 3-(1-amino-2-hydroxyethyl)azetidine-1-carboxylate?
The InChIKey is XRUGMVTYDABRQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-10(2,3)15-9(14)12-4-7(5-12)8(11)6-13/h7-8,13H,4-6,11H2,1-3H3.
What are the key properties of tert-butyl 3-(1-amino-2-hydroxyethyl)azetidine-1-carboxylate?
tert-butyl 3-(1-amino-2-hydroxyethyl)azetidine-1-carboxylate has a molecular weight of 216.28 g/mol, XLogP of 0.17, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(1-amino-2-hydroxyethyl)azetidine-1-carboxylate is sourced from PubChem (CID 83910033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).