(9S)-N-[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-1,4-dioxaspiro[4.4]nonane-9-carboxamide

C16H27NO4 — CID 124854968

IUPAC(9S)-N-[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-1,4-dioxaspiro[4.4]nonane-9-carboxamide
SMILESCO[C@]1(C)C[C@@H](NC(=O)[C@H]2CCCC23OCCO3)C1(C)C
InChIInChI=1S/C16H27NO4/c1-14(2)12(10-15(14,3)19-4)17-13(18)11-6-5-7-16(11)20-8-9-21-16/h11-12H,5-10H2,1-4H3,(H,17,18)/t11-,12-,15-/m1/s1
InChIKeyYFQYERRXDIYAKN-LALPHHSUSA-N
MW297.40 g/mol
LogP1.85
Rot. Bonds3

About (9S)-N-[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-1,4-dioxaspiro[4.4]nonane-9-carboxamide

(9S)-N-[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-1,4-dioxaspiro[4.4]nonane-9-carboxamide (PubChem CID 124854968) has the molecular formula C16H27NO4 and a molecular weight of 297.40 g/mol. Its IUPAC name is (9S)-N-[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-1,4-dioxaspiro[4.4]nonane-9-carboxamide.

Molecular Properties

Compound Name(9S)-N-[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-1,4-dioxaspiro[4.4]nonane-9-carboxamide
PubChem CID124854968
Molecular FormulaC16H27NO4
Molecular Weight297.40 g/mol
Exact Mass297.19
IUPAC Name(9S)-N-[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-1,4-dioxaspiro[4.4]nonane-9-carboxamide
SMILESCO[C@]1(C)C[C@@H](NC(=O)[C@H]2CCCC23OCCO3)C1(C)C
InChIInChI=1S/C16H27NO4/c1-14(2)12(10-15(14,3)19-4)17-13(18)11-6-5-7-16(11)20-8-9-21-16/h11-12H,5-10H2,1-4H3,(H,17,18)/t11-,12-,15-/m1/s1
InChIKeyYFQYERRXDIYAKN-LALPHHSUSA-N
XLogP1.85
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (9S)-N-[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-1,4-dioxaspiro[4.4]nonane-9-carboxamide with MolForge

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Related Compounds

(2S)-N-(3-methoxy-2,2,3-trimethylcyclobutyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119343223
(3S)-N-[(1S,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]piperidine-3-carboxamide
CID 124778076
1-(dimethylamino)-N-[(1S,3S)-3-methoxy-2,2,3-trimethylcyclobutyl]cyclobutane-1-carboxamide
CID 99578445
(2S)-N-[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-2-methylsulfanylpropanamide
CID 95906448
N-[2-[(1,4-dioxaspiro[4.4]nonane-9-carbonylamino)methyl]butyl]-1,4-dioxaspiro[4.4]nonane-9-carboxamide
CID 166200762
2-(dimethylamino)-N-[(1S,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]acetamide
CID 99631339
2-amino-3-methoxy-N-(3-methoxy-2,2,3-trimethylcyclobutyl)propanamide;hydrochloride
CID 120991463
N-(3-methoxy-2,2,3-trimethylcyclobutyl)-4-(methylamino)butanamide;hydrochloride
CID 119817936
N-(3-methoxy-2,2,3-trimethylcyclobutyl)-N'-methylpyrrolidine-1-carboximidamide
CID 111756780
N-[4-[[(1R,3S)-3-methoxy-2,2,3-trimethylcyclobutyl]amino]-4-oxobutyl]cyclopropanecarboxamide
CID 95906540
2-[[[(3-methoxy-2,2,3-trimethylcyclobutyl)amino]-(oxan-4-ylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 119161505
1,4-dioxaspiro[4.6]undecane-6-carboxylic acid
CID 131629776

Frequently Asked Questions

What is the IUPAC name of (9S)-N-[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-1,4-dioxaspiro[4.4]nonane-9-carboxamide?
The IUPAC name of (9S)-N-[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-1,4-dioxaspiro[4.4]nonane-9-carboxamide (CID 124854968) is (9S)-N-[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-1,4-dioxaspiro[4.4]nonane-9-carboxamide.
What is the SMILES notation for (9S)-N-[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-1,4-dioxaspiro[4.4]nonane-9-carboxamide?
The canonical SMILES for (9S)-N-[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-1,4-dioxaspiro[4.4]nonane-9-carboxamide is CO[C@]1(C)C[C@@H](NC(=O)[C@H]2CCCC23OCCO3)C1(C)C.
What is the InChIKey of (9S)-N-[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-1,4-dioxaspiro[4.4]nonane-9-carboxamide?
The InChIKey is YFQYERRXDIYAKN-LALPHHSUSA-N. The full InChI is InChI=1S/C16H27NO4/c1-14(2)12(10-15(14,3)19-4)17-13(18)11-6-5-7-16(11)20-8-9-21-16/h11-12H,5-10H2,1-4H3,(H,17,18)/t11-,12-,15-/m1/s1.
What are the key properties of (9S)-N-[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-1,4-dioxaspiro[4.4]nonane-9-carboxamide?
(9S)-N-[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-1,4-dioxaspiro[4.4]nonane-9-carboxamide has a molecular weight of 297.40 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (9S)-N-[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-1,4-dioxaspiro[4.4]nonane-9-carboxamide is sourced from PubChem (CID 124854968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).