tert-butyl 3-[amino(3,4-dihydro-2H-pyran-5-yl)methyl]morpholine-4-carboxylate

C15H26N2O4 — CID 103554497

IUPACtert-butyl 3-[amino(3,4-dihydro-2H-pyran-5-yl)methyl]morpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCOCC1C(N)C1=COCCC1
InChIInChI=1S/C15H26N2O4/c1-15(2,3)21-14(18)17-6-8-20-10-12(17)13(16)11-5-4-7-19-9-11/h9,12-13H,4-8,10,16H2,1-3H3
InChIKeySLZVMHDLBGDZSS-UHFFFAOYSA-N
MW298.38 g/mol
LogP1.64
Rot. Bonds2

About tert-butyl 3-[amino(3,4-dihydro-2H-pyran-5-yl)methyl]morpholine-4-carboxylate

tert-butyl 3-[amino(3,4-dihydro-2H-pyran-5-yl)methyl]morpholine-4-carboxylate (PubChem CID 103554497) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is tert-butyl 3-[amino(3,4-dihydro-2H-pyran-5-yl)methyl]morpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[amino(3,4-dihydro-2H-pyran-5-yl)methyl]morpholine-4-carboxylate
PubChem CID103554497
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Nametert-butyl 3-[amino(3,4-dihydro-2H-pyran-5-yl)methyl]morpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCOCC1C(N)C1=COCCC1
InChIInChI=1S/C15H26N2O4/c1-15(2,3)21-14(18)17-6-8-20-10-12(17)13(16)11-5-4-7-19-9-11/h9,12-13H,4-8,10,16H2,1-3H3
InChIKeySLZVMHDLBGDZSS-UHFFFAOYSA-N
XLogP1.64
TPSA74.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl (3R)-3-(6-aminohex-1-en-2-yl)morpholine-4-carboxylate
CID 170020319
Tert-butyl 3-(1-aminopent-4-enyl)morpholine-4-carboxylate
CID 103554366
Tert-butyl 3-(1-amino-3-methylidenepentyl)morpholine-4-carboxylate
CID 103554370
Tert-butyl 3-(1-amino-2-methylprop-2-enyl)morpholine-4-carboxylate
CID 103554398
Tert-butyl 3-(1-amino-4-methylpent-4-enyl)morpholine-4-carboxylate
CID 103554464
Tert-butyl 3-(1-aminohex-5-enyl)morpholine-4-carboxylate
CID 103554476
Tert-butyl 3-(1-amino-3-methylbut-3-enyl)morpholine-4-carboxylate
CID 103554528
Tert-butyl 3-[amino(cyclohexen-1-yl)methyl]morpholine-4-carboxylate
CID 106654852
tert-butyl 3-(3,4-dihydro-2H-pyran-5-yl)piperazine-1-carboxylate
CID 165656370
tert-butyl 2-(3,4-dihydro-2H-pyran-5-yl)piperazine-1-carboxylate
CID 165973136

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[amino(3,4-dihydro-2H-pyran-5-yl)methyl]morpholine-4-carboxylate?
The IUPAC name of tert-butyl 3-[amino(3,4-dihydro-2H-pyran-5-yl)methyl]morpholine-4-carboxylate (CID 103554497) is tert-butyl 3-[amino(3,4-dihydro-2H-pyran-5-yl)methyl]morpholine-4-carboxylate.
What is the SMILES notation for tert-butyl 3-[amino(3,4-dihydro-2H-pyran-5-yl)methyl]morpholine-4-carboxylate?
The canonical SMILES for tert-butyl 3-[amino(3,4-dihydro-2H-pyran-5-yl)methyl]morpholine-4-carboxylate is CC(C)(C)OC(=O)N1CCOCC1C(N)C1=COCCC1.
What is the InChIKey of tert-butyl 3-[amino(3,4-dihydro-2H-pyran-5-yl)methyl]morpholine-4-carboxylate?
The InChIKey is SLZVMHDLBGDZSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-15(2,3)21-14(18)17-6-8-20-10-12(17)13(16)11-5-4-7-19-9-11/h9,12-13H,4-8,10,16H2,1-3H3.
What are the key properties of tert-butyl 3-[amino(3,4-dihydro-2H-pyran-5-yl)methyl]morpholine-4-carboxylate?
tert-butyl 3-[amino(3,4-dihydro-2H-pyran-5-yl)methyl]morpholine-4-carboxylate has a molecular weight of 298.38 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[amino(3,4-dihydro-2H-pyran-5-yl)methyl]morpholine-4-carboxylate is sourced from PubChem (CID 103554497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).