tert-butyl 3-[2-(diethylamino)ethylcarbamoyl]-3-fluoroazetidine-1-carboxylate

C15H28FN3O3 — CID 178059474

IUPACtert-butyl 3-[2-(diethylamino)ethylcarbamoyl]-3-fluoroazetidine-1-carboxylate
SMILESCCN(CC)CCNC(=O)C1(F)CN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C15H28FN3O3/c1-6-18(7-2)9-8-17-12(20)15(16)10-19(11-15)13(21)22-14(3,4)5/h6-11H2,1-5H3,(H,17,20)
InChIKeyGHXNMMXYWHSPJK-UHFFFAOYSA-N
MW317.41 g/mol
LogP1.40
Rot. Bonds6

About tert-butyl 3-[2-(diethylamino)ethylcarbamoyl]-3-fluoroazetidine-1-carboxylate

tert-butyl 3-[2-(diethylamino)ethylcarbamoyl]-3-fluoroazetidine-1-carboxylate (PubChem CID 178059474) has the molecular formula C15H28FN3O3 and a molecular weight of 317.41 g/mol. Its IUPAC name is tert-butyl 3-[2-(diethylamino)ethylcarbamoyl]-3-fluoroazetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[2-(diethylamino)ethylcarbamoyl]-3-fluoroazetidine-1-carboxylate
PubChem CID178059474
Molecular FormulaC15H28FN3O3
Molecular Weight317.41 g/mol
Exact Mass317.21
IUPAC Nametert-butyl 3-[2-(diethylamino)ethylcarbamoyl]-3-fluoroazetidine-1-carboxylate
SMILESCCN(CC)CCNC(=O)C1(F)CN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C15H28FN3O3/c1-6-18(7-2)9-8-17-12(20)15(16)10-19(11-15)13(21)22-14(3,4)5/h6-11H2,1-5H3,(H,17,20)
InChIKeyGHXNMMXYWHSPJK-UHFFFAOYSA-N
XLogP1.40
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 3-[2-(diethylamino)ethylcarbamoyl]azetidine-1-carboxylate
CID 178059577
tert-butyl 3-[2-(diethylamino)ethylamino]azetidine-1-carboxylate
CID 63302669
tert-butyl 3-[2-[ethyl(propyl)amino]ethylamino]azetidine-1-carboxylate
CID 102672504
tert-butyl 3-fluoro-3-(2-methoxy-2-oxoethyl)azetidine-1-carboxylate
CID 118798667
N-[2-(diethylamino)ethyl]-4,4-dimethylpentanamide
CID 59170011
tert-butyl 3-(difluoromethyl)-3-hydroxyazetidine-1-carboxylate
CID 80605458
(3R)-3,5,5-trifluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid
CID 124556147
tert-butyl 3-(difluoromethyl)-3-formylazetidine-1-carboxylate
CID 178013714
tert-butyl 3-[2-[ethyl(methyl)amino]ethylamino]azetidine-1-carboxylate
CID 63302739
tert-butyl 3,3-bis(methylamino)azetidine-1-carboxylate
CID 174271991
1-amino-N-[2-(diethylamino)ethyl]cyclopentane-1-carboxamide
CID 60867384
tert-butyl 3-ethoxy-3-hydroxyazetidine-1-carboxylate
CID 150244500

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[2-(diethylamino)ethylcarbamoyl]-3-fluoroazetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[2-(diethylamino)ethylcarbamoyl]-3-fluoroazetidine-1-carboxylate (CID 178059474) is tert-butyl 3-[2-(diethylamino)ethylcarbamoyl]-3-fluoroazetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[2-(diethylamino)ethylcarbamoyl]-3-fluoroazetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[2-(diethylamino)ethylcarbamoyl]-3-fluoroazetidine-1-carboxylate is CCN(CC)CCNC(=O)C1(F)CN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 3-[2-(diethylamino)ethylcarbamoyl]-3-fluoroazetidine-1-carboxylate?
The InChIKey is GHXNMMXYWHSPJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28FN3O3/c1-6-18(7-2)9-8-17-12(20)15(16)10-19(11-15)13(21)22-14(3,4)5/h6-11H2,1-5H3,(H,17,20).
What are the key properties of tert-butyl 3-[2-(diethylamino)ethylcarbamoyl]-3-fluoroazetidine-1-carboxylate?
tert-butyl 3-[2-(diethylamino)ethylcarbamoyl]-3-fluoroazetidine-1-carboxylate has a molecular weight of 317.41 g/mol, XLogP of 1.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[2-(diethylamino)ethylcarbamoyl]-3-fluoroazetidine-1-carboxylate is sourced from PubChem (CID 178059474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).