(1S)-N-[[(1S,3R)-3-ethoxy-1-hydroxy-2,2-dimethylcyclobutyl]methyl]-2,2-dimethylcyclopropane-1-carboxamide

C15H27NO3 — CID 99834573

IUPAC(1S)-N-[[(1S,3R)-3-ethoxy-1-hydroxy-2,2-dimethylcyclobutyl]methyl]-2,2-dimethylcyclopropane-1-carboxamide
SMILESCCO[C@@H]1C[C@@](O)(CNC(=O)[C@H]2CC2(C)C)C1(C)C
InChIInChI=1S/C15H27NO3/c1-6-19-11-8-15(18,14(11,4)5)9-16-12(17)10-7-13(10,2)3/h10-11,18H,6-9H2,1-5H3,(H,16,17)/t10-,11-,15-/m1/s1
InChIKeyMDJZEGVSNKMIII-UEKVPHQBSA-N
MW269.38 g/mol
LogP1.71
Rot. Bonds5

About (1S)-N-[[(1S,3R)-3-ethoxy-1-hydroxy-2,2-dimethylcyclobutyl]methyl]-2,2-dimethylcyclopropane-1-carboxamide

(1S)-N-[[(1S,3R)-3-ethoxy-1-hydroxy-2,2-dimethylcyclobutyl]methyl]-2,2-dimethylcyclopropane-1-carboxamide (PubChem CID 99834573) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is (1S)-N-[[(1S,3R)-3-ethoxy-1-hydroxy-2,2-dimethylcyclobutyl]methyl]-2,2-dimethylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name(1S)-N-[[(1S,3R)-3-ethoxy-1-hydroxy-2,2-dimethylcyclobutyl]methyl]-2,2-dimethylcyclopropane-1-carboxamide
PubChem CID99834573
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Name(1S)-N-[[(1S,3R)-3-ethoxy-1-hydroxy-2,2-dimethylcyclobutyl]methyl]-2,2-dimethylcyclopropane-1-carboxamide
SMILESCCO[C@@H]1C[C@@](O)(CNC(=O)[C@H]2CC2(C)C)C1(C)C
InChIInChI=1S/C15H27NO3/c1-6-19-11-8-15(18,14(11,4)5)9-16-12(17)10-7-13(10,2)3/h10-11,18H,6-9H2,1-5H3,(H,16,17)/t10-,11-,15-/m1/s1
InChIKeyMDJZEGVSNKMIII-UEKVPHQBSA-N
XLogP1.71
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S)-N-[[(1S,3R)-3-ethoxy-1-hydroxy-2,2-dimethylcyclobutyl]methyl]-2,2-dimethylcyclopropane-1-carboxamide?
The IUPAC name of (1S)-N-[[(1S,3R)-3-ethoxy-1-hydroxy-2,2-dimethylcyclobutyl]methyl]-2,2-dimethylcyclopropane-1-carboxamide (CID 99834573) is (1S)-N-[[(1S,3R)-3-ethoxy-1-hydroxy-2,2-dimethylcyclobutyl]methyl]-2,2-dimethylcyclopropane-1-carboxamide.
What is the SMILES notation for (1S)-N-[[(1S,3R)-3-ethoxy-1-hydroxy-2,2-dimethylcyclobutyl]methyl]-2,2-dimethylcyclopropane-1-carboxamide?
The canonical SMILES for (1S)-N-[[(1S,3R)-3-ethoxy-1-hydroxy-2,2-dimethylcyclobutyl]methyl]-2,2-dimethylcyclopropane-1-carboxamide is CCO[C@@H]1C[C@@](O)(CNC(=O)[C@H]2CC2(C)C)C1(C)C.
What is the InChIKey of (1S)-N-[[(1S,3R)-3-ethoxy-1-hydroxy-2,2-dimethylcyclobutyl]methyl]-2,2-dimethylcyclopropane-1-carboxamide?
The InChIKey is MDJZEGVSNKMIII-UEKVPHQBSA-N. The full InChI is InChI=1S/C15H27NO3/c1-6-19-11-8-15(18,14(11,4)5)9-16-12(17)10-7-13(10,2)3/h10-11,18H,6-9H2,1-5H3,(H,16,17)/t10-,11-,15-/m1/s1.
What are the key properties of (1S)-N-[[(1S,3R)-3-ethoxy-1-hydroxy-2,2-dimethylcyclobutyl]methyl]-2,2-dimethylcyclopropane-1-carboxamide?
(1S)-N-[[(1S,3R)-3-ethoxy-1-hydroxy-2,2-dimethylcyclobutyl]methyl]-2,2-dimethylcyclopropane-1-carboxamide has a molecular weight of 269.38 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[[(1S,3R)-3-ethoxy-1-hydroxy-2,2-dimethylcyclobutyl]methyl]-2,2-dimethylcyclopropane-1-carboxamide is sourced from PubChem (CID 99834573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).