(2S)-2-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)hexanamide

C12H24N2O2 — CID 107146718

IUPAC(2S)-2-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)hexanamide
SMILESCCCC[C@H](N)C(=O)NC1CC(O)C1(C)C
InChIInChI=1S/C12H24N2O2/c1-4-5-6-8(13)11(16)14-9-7-10(15)12(9,2)3/h8-10,15H,4-7,13H2,1-3H3,(H,14,16)/t8-,9?,10?/m0/s1
InChIKeyLWDKCRLYVDYHNH-IDKOKCKLSA-N
MW228.34 g/mol
LogP0.78
Rot. Bonds5

About (2S)-2-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)hexanamide

(2S)-2-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)hexanamide (PubChem CID 107146718) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is (2S)-2-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)hexanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)hexanamide
PubChem CID107146718
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name(2S)-2-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)hexanamide
SMILESCCCC[C@H](N)C(=O)NC1CC(O)C1(C)C
InChIInChI=1S/C12H24N2O2/c1-4-5-6-8(13)11(16)14-9-7-10(15)12(9,2)3/h8-10,15H,4-7,13H2,1-3H3,(H,14,16)/t8-,9?,10?/m0/s1
InChIKeyLWDKCRLYVDYHNH-IDKOKCKLSA-N
XLogP0.78
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)pentanamide
CID 107570804
(2R)-2-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)butanamide
CID 104940471
(2R)-2-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)-4-methylpentanamide
CID 104940467
2-(aminomethyl)-N-(3-hydroxy-2,2-dimethylcyclobutyl)pentanamide
CID 114629813
(2S)-2-amino-N-(2,2-dimethylcyclopentyl)hexanamide
CID 103831777
6-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-methylheptanamide
CID 114629788
(2S)-2-amino-N-(3,3,5,5-tetramethylcyclohexyl)hexanamide
CID 103951340
2-amino-N-(3,3,5,5-tetramethylcyclohexyl)hexanamide
CID 112639940
(2S)-2-amino-N-cycloheptylhexanamide
CID 103830902
(2S)-2-amino-N-(3-tricyclo[3.2.1.02,4]octanyl)hexanamide
CID 113304839
(2S)-2-amino-N-(3,4-dimethylcyclohexyl)hexanamide
CID 107145708
5-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)pentanamide
CID 114629795

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)hexanamide?
The IUPAC name of (2S)-2-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)hexanamide (CID 107146718) is (2S)-2-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)hexanamide.
What is the SMILES notation for (2S)-2-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)hexanamide?
The canonical SMILES for (2S)-2-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)hexanamide is CCCC[C@H](N)C(=O)NC1CC(O)C1(C)C.
What is the InChIKey of (2S)-2-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)hexanamide?
The InChIKey is LWDKCRLYVDYHNH-IDKOKCKLSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-4-5-6-8(13)11(16)14-9-7-10(15)12(9,2)3/h8-10,15H,4-7,13H2,1-3H3,(H,14,16)/t8-,9?,10?/m0/s1.
What are the key properties of (2S)-2-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)hexanamide?
(2S)-2-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)hexanamide has a molecular weight of 228.34 g/mol, XLogP of 0.78, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)hexanamide is sourced from PubChem (CID 107146718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).