2-(cyclopropylamino)-2-methyl-6-(oxolan-3-yloxy)hexanoic acid

C14H25NO4 — CID 63556904

IUPAC2-(cyclopropylamino)-2-methyl-6-(oxolan-3-yloxy)hexanoic acid
SMILESCC(CCCCOC1CCOC1)(NC1CC1)C(=O)O
InChIInChI=1S/C14H25NO4/c1-14(13(16)17,15-11-4-5-11)7-2-3-8-19-12-6-9-18-10-12/h11-12,15H,2-10H2,1H3,(H,16,17)
InChIKeyPGDVHQODQDHOQP-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.56
Rot. Bonds9

About 2-(cyclopropylamino)-2-methyl-6-(oxolan-3-yloxy)hexanoic acid

2-(cyclopropylamino)-2-methyl-6-(oxolan-3-yloxy)hexanoic acid (PubChem CID 63556904) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-(cyclopropylamino)-2-methyl-6-(oxolan-3-yloxy)hexanoic acid.

Molecular Properties

Compound Name2-(cyclopropylamino)-2-methyl-6-(oxolan-3-yloxy)hexanoic acid
PubChem CID63556904
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Name2-(cyclopropylamino)-2-methyl-6-(oxolan-3-yloxy)hexanoic acid
SMILESCC(CCCCOC1CCOC1)(NC1CC1)C(=O)O
InChIInChI=1S/C14H25NO4/c1-14(13(16)17,15-11-4-5-11)7-2-3-8-19-12-6-9-18-10-12/h11-12,15H,2-10H2,1H3,(H,16,17)
InChIKeyPGDVHQODQDHOQP-UHFFFAOYSA-N
XLogP1.56
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-2-methyl-6-(oxolan-3-yloxy)hexanoic acid?
The IUPAC name of 2-(cyclopropylamino)-2-methyl-6-(oxolan-3-yloxy)hexanoic acid (CID 63556904) is 2-(cyclopropylamino)-2-methyl-6-(oxolan-3-yloxy)hexanoic acid.
What is the SMILES notation for 2-(cyclopropylamino)-2-methyl-6-(oxolan-3-yloxy)hexanoic acid?
The canonical SMILES for 2-(cyclopropylamino)-2-methyl-6-(oxolan-3-yloxy)hexanoic acid is CC(CCCCOC1CCOC1)(NC1CC1)C(=O)O.
What is the InChIKey of 2-(cyclopropylamino)-2-methyl-6-(oxolan-3-yloxy)hexanoic acid?
The InChIKey is PGDVHQODQDHOQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO4/c1-14(13(16)17,15-11-4-5-11)7-2-3-8-19-12-6-9-18-10-12/h11-12,15H,2-10H2,1H3,(H,16,17).
What are the key properties of 2-(cyclopropylamino)-2-methyl-6-(oxolan-3-yloxy)hexanoic acid?
2-(cyclopropylamino)-2-methyl-6-(oxolan-3-yloxy)hexanoic acid has a molecular weight of 271.36 g/mol, XLogP of 1.56, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-2-methyl-6-(oxolan-3-yloxy)hexanoic acid is sourced from PubChem (CID 63556904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).