(2S)-1-[(1S,2S)-2-methylcyclopentyl]oxy-3-morpholin-4-ylpropan-2-ol

C13H25NO3 — CID 42584479

IUPAC(2S)-1-[(1S,2S)-2-methylcyclopentyl]oxy-3-morpholin-4-ylpropan-2-ol
SMILESC[C@H]1CCC[C@@H]1OC[C@@H](O)CN1CCOCC1
InChIInChI=1S/C13H25NO3/c1-11-3-2-4-13(11)17-10-12(15)9-14-5-7-16-8-6-14/h11-13,15H,2-10H2,1H3/t11-,12-,13-/m0/s1
InChIKeyPTNLBEFQQFGPBE-AVGNSLFASA-N
MW243.35 g/mol
LogP0.88
Rot. Bonds5

About (2S)-1-[(1S,2S)-2-methylcyclopentyl]oxy-3-morpholin-4-ylpropan-2-ol

(2S)-1-[(1S,2S)-2-methylcyclopentyl]oxy-3-morpholin-4-ylpropan-2-ol (PubChem CID 42584479) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is (2S)-1-[(1S,2S)-2-methylcyclopentyl]oxy-3-morpholin-4-ylpropan-2-ol.

Molecular Properties

Compound Name(2S)-1-[(1S,2S)-2-methylcyclopentyl]oxy-3-morpholin-4-ylpropan-2-ol
PubChem CID42584479
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Name(2S)-1-[(1S,2S)-2-methylcyclopentyl]oxy-3-morpholin-4-ylpropan-2-ol
SMILESC[C@H]1CCC[C@@H]1OC[C@@H](O)CN1CCOCC1
InChIInChI=1S/C13H25NO3/c1-11-3-2-4-13(11)17-10-12(15)9-14-5-7-16-8-6-14/h11-13,15H,2-10H2,1H3/t11-,12-,13-/m0/s1
InChIKeyPTNLBEFQQFGPBE-AVGNSLFASA-N
XLogP0.88
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(1S,2S)-2-methylcyclopentyl]oxy-3-morpholin-4-ylpropan-2-ol?
The IUPAC name of (2S)-1-[(1S,2S)-2-methylcyclopentyl]oxy-3-morpholin-4-ylpropan-2-ol (CID 42584479) is (2S)-1-[(1S,2S)-2-methylcyclopentyl]oxy-3-morpholin-4-ylpropan-2-ol.
What is the SMILES notation for (2S)-1-[(1S,2S)-2-methylcyclopentyl]oxy-3-morpholin-4-ylpropan-2-ol?
The canonical SMILES for (2S)-1-[(1S,2S)-2-methylcyclopentyl]oxy-3-morpholin-4-ylpropan-2-ol is C[C@H]1CCC[C@@H]1OC[C@@H](O)CN1CCOCC1.
What is the InChIKey of (2S)-1-[(1S,2S)-2-methylcyclopentyl]oxy-3-morpholin-4-ylpropan-2-ol?
The InChIKey is PTNLBEFQQFGPBE-AVGNSLFASA-N. The full InChI is InChI=1S/C13H25NO3/c1-11-3-2-4-13(11)17-10-12(15)9-14-5-7-16-8-6-14/h11-13,15H,2-10H2,1H3/t11-,12-,13-/m0/s1.
What are the key properties of (2S)-1-[(1S,2S)-2-methylcyclopentyl]oxy-3-morpholin-4-ylpropan-2-ol?
(2S)-1-[(1S,2S)-2-methylcyclopentyl]oxy-3-morpholin-4-ylpropan-2-ol has a molecular weight of 243.35 g/mol, XLogP of 0.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(1S,2S)-2-methylcyclopentyl]oxy-3-morpholin-4-ylpropan-2-ol is sourced from PubChem (CID 42584479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).