tert-butyl 4-[[[6-(aminomethyl)-3,4-dihydro-2H-pyran-3-yl]amino]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

C17H31N3O4 — CID 91203347

IUPACtert-butyl 4-[[[6-(aminomethyl)-3,4-dihydro-2H-pyran-3-yl]amino]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1C(CNC2CC=C(CN)OC2)COC1(C)C
InChIInChI=1S/C17H31N3O4/c1-16(2,3)24-15(21)20-13(11-23-17(20,4)5)9-19-12-6-7-14(8-18)22-10-12/h7,12-13,19H,6,8-11,18H2,1-5H3
InChIKeySCHBUMVVILUAMQ-UHFFFAOYSA-N
MW341.45 g/mol
LogP1.58
Rot. Bonds4

About tert-butyl 4-[[[6-(aminomethyl)-3,4-dihydro-2H-pyran-3-yl]amino]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

tert-butyl 4-[[[6-(aminomethyl)-3,4-dihydro-2H-pyran-3-yl]amino]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (PubChem CID 91203347) has the molecular formula C17H31N3O4 and a molecular weight of 341.45 g/mol. Its IUPAC name is tert-butyl 4-[[[6-(aminomethyl)-3,4-dihydro-2H-pyran-3-yl]amino]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[[[6-(aminomethyl)-3,4-dihydro-2H-pyran-3-yl]amino]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
PubChem CID91203347
Molecular FormulaC17H31N3O4
Molecular Weight341.45 g/mol
Exact Mass341.23
IUPAC Nametert-butyl 4-[[[6-(aminomethyl)-3,4-dihydro-2H-pyran-3-yl]amino]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1C(CNC2CC=C(CN)OC2)COC1(C)C
InChIInChI=1S/C17H31N3O4/c1-16(2,3)24-15(21)20-13(11-23-17(20,4)5)9-19-12-6-7-14(8-18)22-10-12/h7,12-13,19H,6,8-11,18H2,1-5H3
InChIKeySCHBUMVVILUAMQ-UHFFFAOYSA-N
XLogP1.58
TPSA86.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze tert-butyl 4-[[[6-(aminomethyl)-3,4-dihydro-2H-pyran-3-yl]amino]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate with MolForge

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Related Compounds

tert-butyl N-[3-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]-3,4-dihydro-2H-pyran-6-yl]methylamino]propyl]carbamate
CID 91343912
tert-butyl N-[2-(3,4-dihydro-2H-pyran-6-ylmethylamino)ethyl]carbamate
CID 126745508
tert-butyl 2-[[[(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3,4-dihydro-2H-pyran-6-yl]methylamino]methyl]pyrrolidine-1-carboxylate
CID 126745794
tert-butyl N-[(2S)-1-[[(3R)-6-(aminomethyl)-3,4-dihydro-2H-pyran-3-yl]amino]propan-2-yl]carbamate
CID 126745803
tert-butyl N-[(3R)-6-(methylaminomethyl)-3,4-dihydro-2H-pyran-3-yl]carbamate
CID 143810595
tert-butyl N-[2-[(3-amino-1-ethyl-3,6-dihydro-2H-pyridin-4-yl)oxy]ethyl]carbamate
CID 156092535
tert-butyl (4R)-4-[(3R)-4-methoxy-2-methyl-3,6-dihydrooxazin-3-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 100980617
tert-butyl (4S)-4-[(3S)-4-methoxy-2-methyl-3,6-dihydrooxazin-3-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 100980618
tert-butyl (4R)-4-[(3S)-4-methoxy-2-methyl-3,6-dihydrooxazin-3-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 100980621
tert-butyl (4S)-4-[(3R)-4-methoxy-2-methyl-3,6-dihydrooxazin-3-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 100980622
tert-butyl (4R)-2,2-dimethyl-4-[1-(prop-2-enylamino)prop-2-enyl]-1,3-oxazolidine-3-carboxylate
CID 101488680
tert-butyl (4R)-4-[(1S)-1-aminoprop-2-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 101491098

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[[6-(aminomethyl)-3,4-dihydro-2H-pyran-3-yl]amino]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl 4-[[[6-(aminomethyl)-3,4-dihydro-2H-pyran-3-yl]amino]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (CID 91203347) is tert-butyl 4-[[[6-(aminomethyl)-3,4-dihydro-2H-pyran-3-yl]amino]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl 4-[[[6-(aminomethyl)-3,4-dihydro-2H-pyran-3-yl]amino]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl 4-[[[6-(aminomethyl)-3,4-dihydro-2H-pyran-3-yl]amino]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is CC(C)(C)OC(=O)N1C(CNC2CC=C(CN)OC2)COC1(C)C.
What is the InChIKey of tert-butyl 4-[[[6-(aminomethyl)-3,4-dihydro-2H-pyran-3-yl]amino]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is SCHBUMVVILUAMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O4/c1-16(2,3)24-15(21)20-13(11-23-17(20,4)5)9-19-12-6-7-14(8-18)22-10-12/h7,12-13,19H,6,8-11,18H2,1-5H3.
What are the key properties of tert-butyl 4-[[[6-(aminomethyl)-3,4-dihydro-2H-pyran-3-yl]amino]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
tert-butyl 4-[[[6-(aminomethyl)-3,4-dihydro-2H-pyran-3-yl]amino]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 341.45 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[[6-(aminomethyl)-3,4-dihydro-2H-pyran-3-yl]amino]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 91203347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).