6-amino-2-[2-(oxolan-2-yl)ethyl]hexanoic acid

C12H23NO3 — CID 104681591

IUPAC6-amino-2-[2-(oxolan-2-yl)ethyl]hexanoic acid
SMILESNCCCCC(CCC1CCCO1)C(=O)O
InChIInChI=1S/C12H23NO3/c13-8-2-1-4-10(12(14)15)6-7-11-5-3-9-16-11/h10-11H,1-9,13H2,(H,14,15)
InChIKeyOJPXUQYBZPJAGF-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.78
Rot. Bonds8

About 6-amino-2-[2-(oxolan-2-yl)ethyl]hexanoic acid

6-amino-2-[2-(oxolan-2-yl)ethyl]hexanoic acid (PubChem CID 104681591) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is 6-amino-2-[2-(oxolan-2-yl)ethyl]hexanoic acid.

Molecular Properties

Compound Name6-amino-2-[2-(oxolan-2-yl)ethyl]hexanoic acid
PubChem CID104681591
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name6-amino-2-[2-(oxolan-2-yl)ethyl]hexanoic acid
SMILESNCCCCC(CCC1CCCO1)C(=O)O
InChIInChI=1S/C12H23NO3/c13-8-2-1-4-10(12(14)15)6-7-11-5-3-9-16-11/h10-11H,1-9,13H2,(H,14,15)
InChIKeyOJPXUQYBZPJAGF-UHFFFAOYSA-N
XLogP1.78
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-amino-2-[3-(oxolan-2-yl)propyl]hexanoic acid
CID 104681592
2-(2-aminoethyl)-5-(oxolan-2-yl)pentanoic acid
CID 104681070
2-ethyl-4-(oxolan-2-yl)butanoic acid
CID 65161630
4-methyl-2-[2-(oxolan-2-yl)ethyl]pentanoic acid
CID 65162425
(2S)-2-amino-5-(oxolan-2-yl)pentanoic acid
CID 106702722
3-(oxolan-2-yl)-2-(oxolan-2-ylmethyl)propanoic acid
CID 14391738
2,3-dimethyl-5-(oxolan-2-yl)pentanoic acid
CID 81008948
5-[4-[2-(oxolan-2-yl)ethyl]piperazin-1-yl]pentan-1-amine
CID 65158754
ethyl 2-[2-(oxacyclononadec-2-yl)ethyl]hexanoate
CID 173129378
2,3-dimethyl-6-(oxolan-2-yl)hexanoic acid
CID 81007927
6-amino-2-(2-hydroxyethyl)hexanoic acid
CID 104681384
1,5-bis(oxolan-2-yl)pentan-3-amine
CID 104993652

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-[2-(oxolan-2-yl)ethyl]hexanoic acid?
The IUPAC name of 6-amino-2-[2-(oxolan-2-yl)ethyl]hexanoic acid (CID 104681591) is 6-amino-2-[2-(oxolan-2-yl)ethyl]hexanoic acid.
What is the SMILES notation for 6-amino-2-[2-(oxolan-2-yl)ethyl]hexanoic acid?
The canonical SMILES for 6-amino-2-[2-(oxolan-2-yl)ethyl]hexanoic acid is NCCCCC(CCC1CCCO1)C(=O)O.
What is the InChIKey of 6-amino-2-[2-(oxolan-2-yl)ethyl]hexanoic acid?
The InChIKey is OJPXUQYBZPJAGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c13-8-2-1-4-10(12(14)15)6-7-11-5-3-9-16-11/h10-11H,1-9,13H2,(H,14,15).
What are the key properties of 6-amino-2-[2-(oxolan-2-yl)ethyl]hexanoic acid?
6-amino-2-[2-(oxolan-2-yl)ethyl]hexanoic acid has a molecular weight of 229.32 g/mol, XLogP of 1.78, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-[2-(oxolan-2-yl)ethyl]hexanoic acid is sourced from PubChem (CID 104681591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).