4-amino-3-(5-methyloxolan-2-yl)hexanoic acid

C11H21NO3 — CID 82839541

IUPAC4-amino-3-(5-methyloxolan-2-yl)hexanoic acid
SMILESCCC(N)C(CC(=O)O)C1CCC(C)O1
InChIInChI=1S/C11H21NO3/c1-3-9(12)8(6-11(13)14)10-5-4-7(2)15-10/h7-10H,3-6,12H2,1-2H3,(H,13,14)
InChIKeyKYGNFXGDENCFLI-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.38
Rot. Bonds5

About 4-amino-3-(5-methyloxolan-2-yl)hexanoic acid

4-amino-3-(5-methyloxolan-2-yl)hexanoic acid (PubChem CID 82839541) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 4-amino-3-(5-methyloxolan-2-yl)hexanoic acid.

Molecular Properties

Compound Name4-amino-3-(5-methyloxolan-2-yl)hexanoic acid
PubChem CID82839541
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name4-amino-3-(5-methyloxolan-2-yl)hexanoic acid
SMILESCCC(N)C(CC(=O)O)C1CCC(C)O1
InChIInChI=1S/C11H21NO3/c1-3-9(12)8(6-11(13)14)10-5-4-7(2)15-10/h7-10H,3-6,12H2,1-2H3,(H,13,14)
InChIKeyKYGNFXGDENCFLI-UHFFFAOYSA-N
XLogP1.38
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(5-methyloxolan-2-yl)hexanoic acid?
The IUPAC name of 4-amino-3-(5-methyloxolan-2-yl)hexanoic acid (CID 82839541) is 4-amino-3-(5-methyloxolan-2-yl)hexanoic acid.
What is the SMILES notation for 4-amino-3-(5-methyloxolan-2-yl)hexanoic acid?
The canonical SMILES for 4-amino-3-(5-methyloxolan-2-yl)hexanoic acid is CCC(N)C(CC(=O)O)C1CCC(C)O1.
What is the InChIKey of 4-amino-3-(5-methyloxolan-2-yl)hexanoic acid?
The InChIKey is KYGNFXGDENCFLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-3-9(12)8(6-11(13)14)10-5-4-7(2)15-10/h7-10H,3-6,12H2,1-2H3,(H,13,14).
What are the key properties of 4-amino-3-(5-methyloxolan-2-yl)hexanoic acid?
4-amino-3-(5-methyloxolan-2-yl)hexanoic acid has a molecular weight of 215.29 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(5-methyloxolan-2-yl)hexanoic acid is sourced from PubChem (CID 82839541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).