tert-butyl 3-[(1-cyclopropyl-2-methoxyethyl)amino]azetidine-1-carboxylate

C14H26N2O3 — CID 103788187

IUPACtert-butyl 3-[(1-cyclopropyl-2-methoxyethyl)amino]azetidine-1-carboxylate
SMILESCOCC(NC1CN(C(=O)OC(C)(C)C)C1)C1CC1
InChIInChI=1S/C14H26N2O3/c1-14(2,3)19-13(17)16-7-11(8-16)15-12(9-18-4)10-5-6-10/h10-12,15H,5-9H2,1-4H3
InChIKeyBCPYIBNOEBVISC-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.62
Rot. Bonds5

About tert-butyl 3-[(1-cyclopropyl-2-methoxyethyl)amino]azetidine-1-carboxylate

tert-butyl 3-[(1-cyclopropyl-2-methoxyethyl)amino]azetidine-1-carboxylate (PubChem CID 103788187) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is tert-butyl 3-[(1-cyclopropyl-2-methoxyethyl)amino]azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[(1-cyclopropyl-2-methoxyethyl)amino]azetidine-1-carboxylate
PubChem CID103788187
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Nametert-butyl 3-[(1-cyclopropyl-2-methoxyethyl)amino]azetidine-1-carboxylate
SMILESCOCC(NC1CN(C(=O)OC(C)(C)C)C1)C1CC1
InChIInChI=1S/C14H26N2O3/c1-14(2,3)19-13(17)16-7-11(8-16)15-12(9-18-4)10-5-6-10/h10-12,15H,5-9H2,1-4H3
InChIKeyBCPYIBNOEBVISC-UHFFFAOYSA-N
XLogP1.62
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 3-[(1-cyclopropyl-2-methoxyethyl)amino]piperidine-1-carboxylate
CID 103783719
tert-butyl 3-[(4-propan-2-ylcyclohexyl)amino]azetidine-1-carboxylate
CID 107241780
tert-butyl N-[(1-cyclopropyl-2-methoxyethyl)amino]carbamate
CID 107237163
tert-butyl 3-(heptan-4-ylamino)azetidine-1-carboxylate
CID 107241913
tert-butyl 3-[(4-methoxy-4-methylpentan-2-yl)amino]azetidine-1-carboxylate
CID 103788152
tert-butyl 3-[(1R)-1-amino-2-methoxy-2-oxoethyl]azetidine-1-carboxylate
CID 124585912
tert-butyl 3-[[(4-propan-2-ylcyclohexyl)amino]methyl]azetidine-1-carboxylate
CID 58394498
tert-butyl 3-[(S)-cyclopropyl(hydroxy)methyl]azetidine-1-carboxylate
CID 154703134
tert-butyl 3-(hexan-2-ylamino)azetidine-1-carboxylate
CID 63303190
tert-butyl 3-[2-(2,2-difluoroethoxy)ethylamino]azetidine-1-carboxylate
CID 103083084
tert-butyl 3-(cyclobutylamino)azetidine-1-carboxylate
CID 53484509
tert-butyl 3-(1-hydrazinyl-4-methoxybutyl)pyrrolidine-1-carboxylate
CID 107093261

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[(1-cyclopropyl-2-methoxyethyl)amino]azetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[(1-cyclopropyl-2-methoxyethyl)amino]azetidine-1-carboxylate (CID 103788187) is tert-butyl 3-[(1-cyclopropyl-2-methoxyethyl)amino]azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[(1-cyclopropyl-2-methoxyethyl)amino]azetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[(1-cyclopropyl-2-methoxyethyl)amino]azetidine-1-carboxylate is COCC(NC1CN(C(=O)OC(C)(C)C)C1)C1CC1.
What is the InChIKey of tert-butyl 3-[(1-cyclopropyl-2-methoxyethyl)amino]azetidine-1-carboxylate?
The InChIKey is BCPYIBNOEBVISC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-14(2,3)19-13(17)16-7-11(8-16)15-12(9-18-4)10-5-6-10/h10-12,15H,5-9H2,1-4H3.
What are the key properties of tert-butyl 3-[(1-cyclopropyl-2-methoxyethyl)amino]azetidine-1-carboxylate?
tert-butyl 3-[(1-cyclopropyl-2-methoxyethyl)amino]azetidine-1-carboxylate has a molecular weight of 270.37 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[(1-cyclopropyl-2-methoxyethyl)amino]azetidine-1-carboxylate is sourced from PubChem (CID 103788187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).