(2R)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-(5-methyltetrazol-1-yl)propan-2-ol

C11H21N5O2 — CID 100730597

IUPAC(2R)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-(5-methyltetrazol-1-yl)propan-2-ol
SMILESCc1nnnn1C[C@H](O)CN1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C11H21N5O2/c1-8-4-15(5-9(2)18-8)6-11(17)7-16-10(3)12-13-14-16/h8-9,11,17H,4-7H2,1-3H3/t8-,9+,11-/m1/s1
InChIKeyYWMGLMLVLQISFA-WCABBAIRSA-N
MW255.32 g/mol
LogP-0.55
Rot. Bonds4

About (2R)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-(5-methyltetrazol-1-yl)propan-2-ol

(2R)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-(5-methyltetrazol-1-yl)propan-2-ol (PubChem CID 100730597) has the molecular formula C11H21N5O2 and a molecular weight of 255.32 g/mol. Its IUPAC name is (2R)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-(5-methyltetrazol-1-yl)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-(5-methyltetrazol-1-yl)propan-2-ol
PubChem CID100730597
Molecular FormulaC11H21N5O2
Molecular Weight255.32 g/mol
Exact Mass255.17
IUPAC Name(2R)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-(5-methyltetrazol-1-yl)propan-2-ol
SMILESCc1nnnn1C[C@H](O)CN1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C11H21N5O2/c1-8-4-15(5-9(2)18-8)6-11(17)7-16-10(3)12-13-14-16/h8-9,11,17H,4-7H2,1-3H3/t8-,9+,11-/m1/s1
InChIKeyYWMGLMLVLQISFA-WCABBAIRSA-N
XLogP-0.55
TPSA76.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 5-0.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1,3-bis(2,6-dimethylmorpholin-4-yl)propan-2-ol
CID 70522448
1-bromo-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propan-2-ol
CID 104959987
1-(2,6-dimethylmorpholin-4-yl)-3-(5-phenyltetrazol-2-yl)propan-2-ol
CID 56799359
1-(2,6-dimethylmorpholin-4-yl)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol
CID 60585219
1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]propan-2-ol
CID 102932187
(2S)-1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-[(3R)-4-[(2S)-2-hydroxypropyl]-3-methylpiperazin-1-yl]propan-2-ol
CID 124826594
(2R)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-(5-thiophen-3-yltetrazol-2-yl)propan-2-ol
CID 100730462
2-[3-(2,6-dimethylmorpholin-4-yl)-2-hydroxypropyl]phthalazin-1-one
CID 47073559
1-(2,6-dimethylmorpholin-4-yl)-3-(3,3-dimethylpyrrolidin-1-yl)propan-2-ol
CID 111489909
1-(2,6-dimethylmorpholin-4-yl)-3-[5-(3-fluorophenyl)tetrazol-2-yl]propan-2-ol
CID 56799360
2-[3-(2,6-dimethylmorpholin-4-yl)-2-hydroxypropyl]-4-phenylphthalazin-1-one
CID 47556544
1-(2,6-dimethylmorpholin-4-yl)-3-(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-2-ol
CID 111512146

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-(5-methyltetrazol-1-yl)propan-2-ol?
The IUPAC name of (2R)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-(5-methyltetrazol-1-yl)propan-2-ol (CID 100730597) is (2R)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-(5-methyltetrazol-1-yl)propan-2-ol.
What is the SMILES notation for (2R)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-(5-methyltetrazol-1-yl)propan-2-ol?
The canonical SMILES for (2R)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-(5-methyltetrazol-1-yl)propan-2-ol is Cc1nnnn1C[C@H](O)CN1C[C@@H](C)O[C@@H](C)C1.
What is the InChIKey of (2R)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-(5-methyltetrazol-1-yl)propan-2-ol?
The InChIKey is YWMGLMLVLQISFA-WCABBAIRSA-N. The full InChI is InChI=1S/C11H21N5O2/c1-8-4-15(5-9(2)18-8)6-11(17)7-16-10(3)12-13-14-16/h8-9,11,17H,4-7H2,1-3H3/t8-,9+,11-/m1/s1.
What are the key properties of (2R)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-(5-methyltetrazol-1-yl)propan-2-ol?
(2R)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-(5-methyltetrazol-1-yl)propan-2-ol has a molecular weight of 255.32 g/mol, XLogP of -0.55, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-(5-methyltetrazol-1-yl)propan-2-ol is sourced from PubChem (CID 100730597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).