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

C15H29N3O3 — CID 178059577

IUPACtert-butyl 3-[2-(diethylamino)ethylcarbamoyl]azetidine-1-carboxylate
SMILESCCN(CC)CCNC(=O)C1CN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C15H29N3O3/c1-6-17(7-2)9-8-16-13(19)12-10-18(11-12)14(20)21-15(3,4)5/h12H,6-11H2,1-5H3,(H,16,19)
InChIKeyXRVZWJASIOGPHY-UHFFFAOYSA-N
MW299.42 g/mol
LogP1.31
Rot. Bonds6

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

tert-butyl 3-[2-(diethylamino)ethylcarbamoyl]azetidine-1-carboxylate (PubChem CID 178059577) has the molecular formula C15H29N3O3 and a molecular weight of 299.42 g/mol. Its IUPAC name is tert-butyl 3-[2-(diethylamino)ethylcarbamoyl]azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[2-(diethylamino)ethylcarbamoyl]azetidine-1-carboxylate
PubChem CID178059577
Molecular FormulaC15H29N3O3
Molecular Weight299.42 g/mol
Exact Mass299.22
IUPAC Nametert-butyl 3-[2-(diethylamino)ethylcarbamoyl]azetidine-1-carboxylate
SMILESCCN(CC)CCNC(=O)C1CN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C15H29N3O3/c1-6-17(7-2)9-8-16-13(19)12-10-18(11-12)14(20)21-15(3,4)5/h12H,6-11H2,1-5H3,(H,16,19)
InChIKeyXRVZWJASIOGPHY-UHFFFAOYSA-N
XLogP1.31
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 3-[2-(diethylamino)ethylamino]azetidine-1-carboxylate
CID 63302669
tert-butyl 4-[2-(dimethylamino)ethylcarbamoyl]piperidine-1-carboxylate
CID 57496371
tert-butyl 3-[2-(diethylamino)ethylcarbamoyl]-3-fluoroazetidine-1-carboxylate
CID 178059474
tert-butyl 3-[2-[ethyl(propyl)amino]ethylamino]azetidine-1-carboxylate
CID 102672504
tert-butyl 3-(pentylcarbamoyl)piperidine-1-carboxylate
CID 43176190
tert-butyl 3-[(cyclobutanecarbonylamino)carbamoyl]azetidine-1-carboxylate
CID 163488927
tert-butyl 3-[2-[ethyl(methyl)amino]ethylamino]azetidine-1-carboxylate
CID 63302739
4-[2-(diethylamino)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 63784312
tert-butyl (3R,4R)-3,4-bis[ethyl(methyl)carbamoyl]pyrrolidine-1-carboxylate
CID 75447651
tert-butyl 4-(heptylcarbamoyl)piperidine-1-carboxylate
CID 4268905
tert-butyl 3-(3-methylbutylcarbamoyl)piperidine-1-carboxylate
CID 43176192
tert-butyl (3R,4S)-3-(hexylcarbamoyl)-4-hydroxypyrrolidine-1-carboxylate
CID 167357096

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[2-(diethylamino)ethylcarbamoyl]azetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[2-(diethylamino)ethylcarbamoyl]azetidine-1-carboxylate (CID 178059577) is tert-butyl 3-[2-(diethylamino)ethylcarbamoyl]azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[2-(diethylamino)ethylcarbamoyl]azetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[2-(diethylamino)ethylcarbamoyl]azetidine-1-carboxylate is CCN(CC)CCNC(=O)C1CN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 3-[2-(diethylamino)ethylcarbamoyl]azetidine-1-carboxylate?
The InChIKey is XRVZWJASIOGPHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O3/c1-6-17(7-2)9-8-16-13(19)12-10-18(11-12)14(20)21-15(3,4)5/h12H,6-11H2,1-5H3,(H,16,19).
What are the key properties of tert-butyl 3-[2-(diethylamino)ethylcarbamoyl]azetidine-1-carboxylate?
tert-butyl 3-[2-(diethylamino)ethylcarbamoyl]azetidine-1-carboxylate has a molecular weight of 299.42 g/mol, XLogP of 1.31, 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]azetidine-1-carboxylate is sourced from PubChem (CID 178059577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).