N-(2-aminobutyl)-5-methyloxolane-3-carboxamide

C10H20N2O2 — CID 114823568

IUPACN-(2-aminobutyl)-5-methyloxolane-3-carboxamide
SMILESCCC(N)CNC(=O)C1COC(C)C1
InChIInChI=1S/C10H20N2O2/c1-3-9(11)5-12-10(13)8-4-7(2)14-6-8/h7-9H,3-6,11H2,1-2H3,(H,12,13)
InChIKeyGOZQUNVZUNPYST-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.26
Rot. Bonds4

About N-(2-aminobutyl)-5-methyloxolane-3-carboxamide

N-(2-aminobutyl)-5-methyloxolane-3-carboxamide (PubChem CID 114823568) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is N-(2-aminobutyl)-5-methyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminobutyl)-5-methyloxolane-3-carboxamide
PubChem CID114823568
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC NameN-(2-aminobutyl)-5-methyloxolane-3-carboxamide
SMILESCCC(N)CNC(=O)C1COC(C)C1
InChIInChI=1S/C10H20N2O2/c1-3-9(11)5-12-10(13)8-4-7(2)14-6-8/h7-9H,3-6,11H2,1-2H3,(H,12,13)
InChIKeyGOZQUNVZUNPYST-UHFFFAOYSA-N
XLogP0.26
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminobutyl)-5-methyloxolane-3-carboxamide?
The IUPAC name of N-(2-aminobutyl)-5-methyloxolane-3-carboxamide (CID 114823568) is N-(2-aminobutyl)-5-methyloxolane-3-carboxamide.
What is the SMILES notation for N-(2-aminobutyl)-5-methyloxolane-3-carboxamide?
The canonical SMILES for N-(2-aminobutyl)-5-methyloxolane-3-carboxamide is CCC(N)CNC(=O)C1COC(C)C1.
What is the InChIKey of N-(2-aminobutyl)-5-methyloxolane-3-carboxamide?
The InChIKey is GOZQUNVZUNPYST-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-3-9(11)5-12-10(13)8-4-7(2)14-6-8/h7-9H,3-6,11H2,1-2H3,(H,12,13).
What are the key properties of N-(2-aminobutyl)-5-methyloxolane-3-carboxamide?
N-(2-aminobutyl)-5-methyloxolane-3-carboxamide has a molecular weight of 200.28 g/mol, XLogP of 0.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminobutyl)-5-methyloxolane-3-carboxamide is sourced from PubChem (CID 114823568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).