tert-butyl 2-(3-aminopropyl)morpholine-4-carboxylate

C12H24N2O3 — CID 82385593

IUPACtert-butyl 2-(3-aminopropyl)morpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCOC(CCCN)C1
InChIInChI=1S/C12H24N2O3/c1-12(2,3)17-11(15)14-7-8-16-10(9-14)5-4-6-13/h10H,4-9,13H2,1-3H3
InChIKeyDVPLUXDEKMZVNJ-UHFFFAOYSA-N
MW244.33 g/mol
LogP1.36
Rot. Bonds3

About tert-butyl 2-(3-aminopropyl)morpholine-4-carboxylate

tert-butyl 2-(3-aminopropyl)morpholine-4-carboxylate (PubChem CID 82385593) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is tert-butyl 2-(3-aminopropyl)morpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(3-aminopropyl)morpholine-4-carboxylate
PubChem CID82385593
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Nametert-butyl 2-(3-aminopropyl)morpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCOC(CCCN)C1
InChIInChI=1S/C12H24N2O3/c1-12(2,3)17-11(15)14-7-8-16-10(9-14)5-4-6-13/h10H,4-9,13H2,1-3H3
InChIKeyDVPLUXDEKMZVNJ-UHFFFAOYSA-N
XLogP1.36
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(3-aminopropyl)morpholine-4-carboxylate?
The IUPAC name of tert-butyl 2-(3-aminopropyl)morpholine-4-carboxylate (CID 82385593) is tert-butyl 2-(3-aminopropyl)morpholine-4-carboxylate.
What is the SMILES notation for tert-butyl 2-(3-aminopropyl)morpholine-4-carboxylate?
The canonical SMILES for tert-butyl 2-(3-aminopropyl)morpholine-4-carboxylate is CC(C)(C)OC(=O)N1CCOC(CCCN)C1.
What is the InChIKey of tert-butyl 2-(3-aminopropyl)morpholine-4-carboxylate?
The InChIKey is DVPLUXDEKMZVNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-12(2,3)17-11(15)14-7-8-16-10(9-14)5-4-6-13/h10H,4-9,13H2,1-3H3.
What are the key properties of tert-butyl 2-(3-aminopropyl)morpholine-4-carboxylate?
tert-butyl 2-(3-aminopropyl)morpholine-4-carboxylate has a molecular weight of 244.33 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(3-aminopropyl)morpholine-4-carboxylate is sourced from PubChem (CID 82385593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).