4-amino-3-(oxan-4-yl)hexanoic acid

C11H21NO3 — CID 66096291

IUPAC4-amino-3-(oxan-4-yl)hexanoic acid
SMILESCCC(N)C(CC(=O)O)C1CCOCC1
InChIInChI=1S/C11H21NO3/c1-2-10(12)9(7-11(13)14)8-3-5-15-6-4-8/h8-10H,2-7,12H2,1H3,(H,13,14)
InChIKeyZTCNBOKWNLGCLY-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.24
Rot. Bonds5

About 4-amino-3-(oxan-4-yl)hexanoic acid

4-amino-3-(oxan-4-yl)hexanoic acid (PubChem CID 66096291) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 4-amino-3-(oxan-4-yl)hexanoic acid.

Molecular Properties

Compound Name4-amino-3-(oxan-4-yl)hexanoic acid
PubChem CID66096291
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name4-amino-3-(oxan-4-yl)hexanoic acid
SMILESCCC(N)C(CC(=O)O)C1CCOCC1
InChIInChI=1S/C11H21NO3/c1-2-10(12)9(7-11(13)14)8-3-5-15-6-4-8/h8-10H,2-7,12H2,1H3,(H,13,14)
InChIKeyZTCNBOKWNLGCLY-UHFFFAOYSA-N
XLogP1.24
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 ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4,4-difluoro-3-(oxan-4-yl)butanoic acid
CID 115025684
4-amino-3-(5-methyloxolan-2-yl)hexanoic acid
CID 82839541
(2R)-2-(oxan-4-yl)butanedioic acid
CID 129389221
3-amino-3-(oxolan-3-yl)propanoic acid;hydrochloride
CID 42614428
3-(dimethylamino)-3-(oxan-4-yl)propanoic acid
CID 64528543
4-amino-3-cyclopentylpentanoic acid
CID 66096453
(2S)-2-amino-N-[1-(oxan-4-yl)ethyl]butanamide
CID 103797658
(2S,3S)-2-amino-3-methyl-N-[1-(oxan-4-yl)ethyl]pentanamide
CID 103833265
2-amino-2-(oxan-4-yl)-N-(1-phenylbutan-2-yl)acetamide
CID 120791380
3-ethoxy-2-(oxan-4-yl)-3-oxopropanoic acid
CID 103973485
ethyl 2-amino-3-hydroxy-3-(oxan-4-yl)propanoate
CID 66206954
3-amino-N,N-dimethyl-3-(oxan-4-yl)propanamide
CID 116850358

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(oxan-4-yl)hexanoic acid?
The IUPAC name of 4-amino-3-(oxan-4-yl)hexanoic acid (CID 66096291) is 4-amino-3-(oxan-4-yl)hexanoic acid.
What is the SMILES notation for 4-amino-3-(oxan-4-yl)hexanoic acid?
The canonical SMILES for 4-amino-3-(oxan-4-yl)hexanoic acid is CCC(N)C(CC(=O)O)C1CCOCC1.
What is the InChIKey of 4-amino-3-(oxan-4-yl)hexanoic acid?
The InChIKey is ZTCNBOKWNLGCLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-2-10(12)9(7-11(13)14)8-3-5-15-6-4-8/h8-10H,2-7,12H2,1H3,(H,13,14).
What are the key properties of 4-amino-3-(oxan-4-yl)hexanoic acid?
4-amino-3-(oxan-4-yl)hexanoic acid has a molecular weight of 215.29 g/mol, XLogP of 1.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(oxan-4-yl)hexanoic acid is sourced from PubChem (CID 66096291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).