N-(2-amino-3-hydroxybutyl)-2,4,5-trimethyloxolane-3-carboxamide

C12H24N2O3 — CID 65160350

IUPACN-(2-amino-3-hydroxybutyl)-2,4,5-trimethyloxolane-3-carboxamide
SMILESCC(O)C(N)CNC(=O)C1C(C)OC(C)C1C
InChIInChI=1S/C12H24N2O3/c1-6-8(3)17-9(4)11(6)12(16)14-5-10(13)7(2)15/h6-11,15H,5,13H2,1-4H3,(H,14,16)
InChIKeyZTBKZDBIUDIKNR-UHFFFAOYSA-N
MW244.33 g/mol
LogP-0.13
Rot. Bonds4

About N-(2-amino-3-hydroxybutyl)-2,4,5-trimethyloxolane-3-carboxamide

N-(2-amino-3-hydroxybutyl)-2,4,5-trimethyloxolane-3-carboxamide (PubChem CID 65160350) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is N-(2-amino-3-hydroxybutyl)-2,4,5-trimethyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-3-hydroxybutyl)-2,4,5-trimethyloxolane-3-carboxamide
PubChem CID65160350
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC NameN-(2-amino-3-hydroxybutyl)-2,4,5-trimethyloxolane-3-carboxamide
SMILESCC(O)C(N)CNC(=O)C1C(C)OC(C)C1C
InChIInChI=1S/C12H24N2O3/c1-6-8(3)17-9(4)11(6)12(16)14-5-10(13)7(2)15/h6-11,15H,5,13H2,1-4H3,(H,14,16)
InChIKeyZTBKZDBIUDIKNR-UHFFFAOYSA-N
XLogP-0.13
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 5-0.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-hydroxy-2-methylpropyl)-2,4,5-trimethyloxolane-3-carboxamide
CID 65160276
N-(2-cyanopropyl)-2,4,5-trimethyloxolane-3-carboxamide
CID 65156063
N-ethyl-2,4,5-trimethyloxolane-3-carboxamide
CID 65155196
5-methyl-3-[[(2,4,5-trimethyloxolane-3-carbonyl)amino]methyl]hexanoic acid
CID 65492697
N-(2-amino-3-hydroxybutyl)-5-methyloxolane-3-carboxamide
CID 114826417
N-(4-aminobutan-2-yl)-2,4,5-trimethyloxolane-3-carboxamide
CID 65152322
N-(3-aminopropyl)-2,4,5-trimethyloxolane-3-carboxamide
CID 65152615
N-(2-amino-3-hydroxybutyl)cycloheptanecarboxamide
CID 64539549
2,4,5-trimethyl-N-[2-(propylamino)ethyl]oxolane-3-carboxamide
CID 65160186
N-(1-amino-1-sulfanylidenepropan-2-yl)-2,4,5-trimethyloxolane-3-carboxamide
CID 65156517
N-(4-amino-2,2-dimethylbutyl)-2,4,5-trimethyloxolane-3-carboxamide
CID 106140226
2,4,5-trimethyl-N-(3-sulfamoylpropyl)oxolane-3-carboxamide
CID 65159364

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-3-hydroxybutyl)-2,4,5-trimethyloxolane-3-carboxamide?
The IUPAC name of N-(2-amino-3-hydroxybutyl)-2,4,5-trimethyloxolane-3-carboxamide (CID 65160350) is N-(2-amino-3-hydroxybutyl)-2,4,5-trimethyloxolane-3-carboxamide.
What is the SMILES notation for N-(2-amino-3-hydroxybutyl)-2,4,5-trimethyloxolane-3-carboxamide?
The canonical SMILES for N-(2-amino-3-hydroxybutyl)-2,4,5-trimethyloxolane-3-carboxamide is CC(O)C(N)CNC(=O)C1C(C)OC(C)C1C.
What is the InChIKey of N-(2-amino-3-hydroxybutyl)-2,4,5-trimethyloxolane-3-carboxamide?
The InChIKey is ZTBKZDBIUDIKNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-6-8(3)17-9(4)11(6)12(16)14-5-10(13)7(2)15/h6-11,15H,5,13H2,1-4H3,(H,14,16).
What are the key properties of N-(2-amino-3-hydroxybutyl)-2,4,5-trimethyloxolane-3-carboxamide?
N-(2-amino-3-hydroxybutyl)-2,4,5-trimethyloxolane-3-carboxamide has a molecular weight of 244.33 g/mol, XLogP of -0.13, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-3-hydroxybutyl)-2,4,5-trimethyloxolane-3-carboxamide is sourced from PubChem (CID 65160350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).