(2R)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-[(1S,2S)-2-methylcyclopentyl]oxypropan-2-ol

C15H29NO3 — CID 51680501

IUPAC(2R)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-[(1S,2S)-2-methylcyclopentyl]oxypropan-2-ol
SMILESC[C@@H]1CN(C[C@@H](O)CO[C@H]2CCC[C@@H]2C)C[C@H](C)O1
InChIInChI=1S/C15H29NO3/c1-11-5-4-6-15(11)18-10-14(17)9-16-7-12(2)19-13(3)8-16/h11-15,17H,4-10H2,1-3H3/t11-,12-,13+,14+,15-/m0/s1
InChIKeyNOPQVBCPBSUPGR-AHDPXTMNSA-N
MW271.40 g/mol
LogP1.66
Rot. Bonds5

About (2R)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-[(1S,2S)-2-methylcyclopentyl]oxypropan-2-ol

(2R)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-[(1S,2S)-2-methylcyclopentyl]oxypropan-2-ol (PubChem CID 51680501) has the molecular formula C15H29NO3 and a molecular weight of 271.40 g/mol. Its IUPAC name is (2R)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-[(1S,2S)-2-methylcyclopentyl]oxypropan-2-ol.

Molecular Properties

Compound Name(2R)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-[(1S,2S)-2-methylcyclopentyl]oxypropan-2-ol
PubChem CID51680501
Molecular FormulaC15H29NO3
Molecular Weight271.40 g/mol
Exact Mass271.21
IUPAC Name(2R)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-[(1S,2S)-2-methylcyclopentyl]oxypropan-2-ol
SMILESC[C@@H]1CN(C[C@@H](O)CO[C@H]2CCC[C@@H]2C)C[C@H](C)O1
InChIInChI=1S/C15H29NO3/c1-11-5-4-6-15(11)18-10-14(17)9-16-7-12(2)19-13(3)8-16/h11-15,17H,4-10H2,1-3H3/t11-,12-,13+,14+,15-/m0/s1
InChIKeyNOPQVBCPBSUPGR-AHDPXTMNSA-N
XLogP1.66
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-[(1S,2S)-2-methylcyclopentyl]oxypropan-2-ol?
The IUPAC name of (2R)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-[(1S,2S)-2-methylcyclopentyl]oxypropan-2-ol (CID 51680501) is (2R)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-[(1S,2S)-2-methylcyclopentyl]oxypropan-2-ol.
What is the SMILES notation for (2R)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-[(1S,2S)-2-methylcyclopentyl]oxypropan-2-ol?
The canonical SMILES for (2R)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-[(1S,2S)-2-methylcyclopentyl]oxypropan-2-ol is C[C@@H]1CN(C[C@@H](O)CO[C@H]2CCC[C@@H]2C)C[C@H](C)O1.
What is the InChIKey of (2R)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-[(1S,2S)-2-methylcyclopentyl]oxypropan-2-ol?
The InChIKey is NOPQVBCPBSUPGR-AHDPXTMNSA-N. The full InChI is InChI=1S/C15H29NO3/c1-11-5-4-6-15(11)18-10-14(17)9-16-7-12(2)19-13(3)8-16/h11-15,17H,4-10H2,1-3H3/t11-,12-,13+,14+,15-/m0/s1.
What are the key properties of (2R)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-[(1S,2S)-2-methylcyclopentyl]oxypropan-2-ol?
(2R)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-[(1S,2S)-2-methylcyclopentyl]oxypropan-2-ol has a molecular weight of 271.40 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-[(1S,2S)-2-methylcyclopentyl]oxypropan-2-ol is sourced from PubChem (CID 51680501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).