tert-butyl 3-[[(3-aminocyclopentyl)amino]methyl]morpholine-4-carboxylate

C15H29N3O3 — CID 107249666

IUPACtert-butyl 3-[[(3-aminocyclopentyl)amino]methyl]morpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCOCC1CNC1CCC(N)C1
InChIInChI=1S/C15H29N3O3/c1-15(2,3)21-14(19)18-6-7-20-10-13(18)9-17-12-5-4-11(16)8-12/h11-13,17H,4-10,16H2,1-3H3
InChIKeyMRIWIPANOYXHER-UHFFFAOYSA-N
MW299.42 g/mol
LogP1.09
Rot. Bonds3

About tert-butyl 3-[[(3-aminocyclopentyl)amino]methyl]morpholine-4-carboxylate

tert-butyl 3-[[(3-aminocyclopentyl)amino]methyl]morpholine-4-carboxylate (PubChem CID 107249666) has the molecular formula C15H29N3O3 and a molecular weight of 299.42 g/mol. Its IUPAC name is tert-butyl 3-[[(3-aminocyclopentyl)amino]methyl]morpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[[(3-aminocyclopentyl)amino]methyl]morpholine-4-carboxylate
PubChem CID107249666
Molecular FormulaC15H29N3O3
Molecular Weight299.42 g/mol
Exact Mass299.22
IUPAC Nametert-butyl 3-[[(3-aminocyclopentyl)amino]methyl]morpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCOCC1CNC1CCC(N)C1
InChIInChI=1S/C15H29N3O3/c1-15(2,3)21-14(19)18-6-7-20-10-13(18)9-17-12-5-4-11(16)8-12/h11-13,17H,4-10,16H2,1-3H3
InChIKeyMRIWIPANOYXHER-UHFFFAOYSA-N
XLogP1.09
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[[(3-aminocyclopentyl)amino]methyl]morpholine-4-carboxylate?
The IUPAC name of tert-butyl 3-[[(3-aminocyclopentyl)amino]methyl]morpholine-4-carboxylate (CID 107249666) is tert-butyl 3-[[(3-aminocyclopentyl)amino]methyl]morpholine-4-carboxylate.
What is the SMILES notation for tert-butyl 3-[[(3-aminocyclopentyl)amino]methyl]morpholine-4-carboxylate?
The canonical SMILES for tert-butyl 3-[[(3-aminocyclopentyl)amino]methyl]morpholine-4-carboxylate is CC(C)(C)OC(=O)N1CCOCC1CNC1CCC(N)C1.
What is the InChIKey of tert-butyl 3-[[(3-aminocyclopentyl)amino]methyl]morpholine-4-carboxylate?
The InChIKey is MRIWIPANOYXHER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O3/c1-15(2,3)21-14(19)18-6-7-20-10-13(18)9-17-12-5-4-11(16)8-12/h11-13,17H,4-10,16H2,1-3H3.
What are the key properties of tert-butyl 3-[[(3-aminocyclopentyl)amino]methyl]morpholine-4-carboxylate?
tert-butyl 3-[[(3-aminocyclopentyl)amino]methyl]morpholine-4-carboxylate has a molecular weight of 299.42 g/mol, XLogP of 1.09, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[[(3-aminocyclopentyl)amino]methyl]morpholine-4-carboxylate is sourced from PubChem (CID 107249666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).