(3R)-3-(1,4-dioxaspiro[4.5]decan-8-ylamino)butan-1-ol

C12H23NO3 — CID 86793868

IUPAC(3R)-3-(1,4-dioxaspiro[4.5]decan-8-ylamino)butan-1-ol
SMILESC[C@H](CCO)NC1CCC2(CC1)OCCO2
InChIInChI=1S/C12H23NO3/c1-10(4-7-14)13-11-2-5-12(6-3-11)15-8-9-16-12/h10-11,13-14H,2-9H2,1H3/t10-/m1/s1
InChIKeyMOHDPHRMUYLPRR-SNVBAGLBSA-N
MW229.32 g/mol
LogP1.03
Rot. Bonds4

About (3R)-3-(1,4-dioxaspiro[4.5]decan-8-ylamino)butan-1-ol

(3R)-3-(1,4-dioxaspiro[4.5]decan-8-ylamino)butan-1-ol (PubChem CID 86793868) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is (3R)-3-(1,4-dioxaspiro[4.5]decan-8-ylamino)butan-1-ol.

Molecular Properties

Compound Name(3R)-3-(1,4-dioxaspiro[4.5]decan-8-ylamino)butan-1-ol
PubChem CID86793868
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name(3R)-3-(1,4-dioxaspiro[4.5]decan-8-ylamino)butan-1-ol
SMILESC[C@H](CCO)NC1CCC2(CC1)OCCO2
InChIInChI=1S/C12H23NO3/c1-10(4-7-14)13-11-2-5-12(6-3-11)15-8-9-16-12/h10-11,13-14H,2-9H2,1H3/t10-/m1/s1
InChIKeyMOHDPHRMUYLPRR-SNVBAGLBSA-N
XLogP1.03
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(1,4-dioxaspiro[4.5]decan-8-ylamino)butan-1-ol?
The IUPAC name of (3R)-3-(1,4-dioxaspiro[4.5]decan-8-ylamino)butan-1-ol (CID 86793868) is (3R)-3-(1,4-dioxaspiro[4.5]decan-8-ylamino)butan-1-ol.
What is the SMILES notation for (3R)-3-(1,4-dioxaspiro[4.5]decan-8-ylamino)butan-1-ol?
The canonical SMILES for (3R)-3-(1,4-dioxaspiro[4.5]decan-8-ylamino)butan-1-ol is C[C@H](CCO)NC1CCC2(CC1)OCCO2.
What is the InChIKey of (3R)-3-(1,4-dioxaspiro[4.5]decan-8-ylamino)butan-1-ol?
The InChIKey is MOHDPHRMUYLPRR-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H23NO3/c1-10(4-7-14)13-11-2-5-12(6-3-11)15-8-9-16-12/h10-11,13-14H,2-9H2,1H3/t10-/m1/s1.
What are the key properties of (3R)-3-(1,4-dioxaspiro[4.5]decan-8-ylamino)butan-1-ol?
(3R)-3-(1,4-dioxaspiro[4.5]decan-8-ylamino)butan-1-ol has a molecular weight of 229.32 g/mol, XLogP of 1.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(1,4-dioxaspiro[4.5]decan-8-ylamino)butan-1-ol is sourced from PubChem (CID 86793868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).