tert-butyl N-[3-amino-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propyl]carbamate

C14H29N3O3 — CID 102730540

IUPACtert-butyl N-[3-amino-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propyl]carbamate
SMILESC[C@@H]1CN(C(CN)CNC(=O)OC(C)(C)C)C[C@H](C)O1
InChIInChI=1S/C14H29N3O3/c1-10-8-17(9-11(2)19-10)12(6-15)7-16-13(18)20-14(3,4)5/h10-12H,6-9,15H2,1-5H3,(H,16,18)/t10-,11+,12?
InChIKeyYIXZHJGUJMOLMS-FOSCPWQOSA-N
MW287.40 g/mol
LogP0.95
Rot. Bonds4

About tert-butyl N-[3-amino-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propyl]carbamate

tert-butyl N-[3-amino-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propyl]carbamate (PubChem CID 102730540) has the molecular formula C14H29N3O3 and a molecular weight of 287.40 g/mol. Its IUPAC name is tert-butyl N-[3-amino-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-amino-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propyl]carbamate
PubChem CID102730540
Molecular FormulaC14H29N3O3
Molecular Weight287.40 g/mol
Exact Mass287.22
IUPAC Nametert-butyl N-[3-amino-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propyl]carbamate
SMILESC[C@@H]1CN(C(CN)CNC(=O)OC(C)(C)C)C[C@H](C)O1
InChIInChI=1S/C14H29N3O3/c1-10-8-17(9-11(2)19-10)12(6-15)7-16-13(18)20-14(3,4)5/h10-12H,6-9,15H2,1-5H3,(H,16,18)/t10-,11+,12?
InChIKeyYIXZHJGUJMOLMS-FOSCPWQOSA-N
XLogP0.95
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-(3-amino-2-morpholin-4-ylpropyl)carbamate
CID 102729414
tert-butyl N-[3-amino-2-(azocan-1-yl)propyl]carbamate
CID 102729511
tert-butyl N-[3-amino-2-(3-propan-2-ylpyrrolidin-1-yl)propyl]carbamate
CID 102730438
tert-butyl N-(3-amino-2-thiomorpholin-4-ylpropyl)carbamate
CID 102729505
tert-butyl N-(4-amino-3-piperidin-1-ylbutyl)carbamate
CID 102729464
tert-butyl N-(3-amino-2-cyclopropylpropyl)carbamate
CID 84723673
tert-butyl N-(3-amino-2-iodopropyl)carbamate
CID 118190466
tert-butyl N-[4-amino-3-(2,2-dimethylmorpholin-4-yl)butyl]carbamate
CID 102729629
tert-butyl N-[4-amino-3-(2,3,5-trimethylpiperidin-1-yl)butyl]carbamate
CID 102730533
tert-butyl N-[4-amino-3-(4-cyclopropylpiperazin-1-yl)butyl]carbamate
CID 102729770
tert-butyl N-[3-amino-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)propyl]carbamate
CID 102730031
tert-butyl N-(4-amino-2-methoxybutyl)carbamate
CID 117273632

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-amino-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propyl]carbamate?
The IUPAC name of tert-butyl N-[3-amino-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propyl]carbamate (CID 102730540) is tert-butyl N-[3-amino-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-amino-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propyl]carbamate?
The canonical SMILES for tert-butyl N-[3-amino-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propyl]carbamate is C[C@@H]1CN(C(CN)CNC(=O)OC(C)(C)C)C[C@H](C)O1.
What is the InChIKey of tert-butyl N-[3-amino-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propyl]carbamate?
The InChIKey is YIXZHJGUJMOLMS-FOSCPWQOSA-N. The full InChI is InChI=1S/C14H29N3O3/c1-10-8-17(9-11(2)19-10)12(6-15)7-16-13(18)20-14(3,4)5/h10-12H,6-9,15H2,1-5H3,(H,16,18)/t10-,11+,12?.
What are the key properties of tert-butyl N-[3-amino-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propyl]carbamate?
tert-butyl N-[3-amino-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propyl]carbamate has a molecular weight of 287.40 g/mol, XLogP of 0.95, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-amino-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propyl]carbamate is sourced from PubChem (CID 102730540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).