(2S)-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3,3-dimethylbutan-2-ol

C12H25NO2 — CID 10560638

IUPAC(2S)-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3,3-dimethylbutan-2-ol
SMILESCOC[C@@H]1CCCN1C[C@@H](O)C(C)(C)C
InChIInChI=1S/C12H25NO2/c1-12(2,3)11(14)8-13-7-5-6-10(13)9-15-4/h10-11,14H,5-9H2,1-4H3/t10-,11+/m0/s1
InChIKeyGPFDMBRXBDSFCT-WDEREUQCSA-N
MW215.34 g/mol
LogP1.50
Rot. Bonds4

About (2S)-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3,3-dimethylbutan-2-ol

(2S)-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3,3-dimethylbutan-2-ol (PubChem CID 10560638) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is (2S)-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name(2S)-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3,3-dimethylbutan-2-ol
PubChem CID10560638
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name(2S)-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3,3-dimethylbutan-2-ol
SMILESCOC[C@@H]1CCCN1C[C@@H](O)C(C)(C)C
InChIInChI=1S/C12H25NO2/c1-12(2,3)11(14)8-13-7-5-6-10(13)9-15-4/h10-11,14H,5-9H2,1-4H3/t10-,11+/m0/s1
InChIKeyGPFDMBRXBDSFCT-WDEREUQCSA-N
XLogP1.50
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3,3-dimethylbutan-2-ol?
The IUPAC name of (2S)-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3,3-dimethylbutan-2-ol (CID 10560638) is (2S)-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3,3-dimethylbutan-2-ol.
What is the SMILES notation for (2S)-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3,3-dimethylbutan-2-ol?
The canonical SMILES for (2S)-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3,3-dimethylbutan-2-ol is COC[C@@H]1CCCN1C[C@@H](O)C(C)(C)C.
What is the InChIKey of (2S)-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3,3-dimethylbutan-2-ol?
The InChIKey is GPFDMBRXBDSFCT-WDEREUQCSA-N. The full InChI is InChI=1S/C12H25NO2/c1-12(2,3)11(14)8-13-7-5-6-10(13)9-15-4/h10-11,14H,5-9H2,1-4H3/t10-,11+/m0/s1.
What are the key properties of (2S)-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3,3-dimethylbutan-2-ol?
(2S)-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3,3-dimethylbutan-2-ol has a molecular weight of 215.34 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3,3-dimethylbutan-2-ol is sourced from PubChem (CID 10560638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).