3-methyl-3-[methyl(oxan-3-yl)amino]butanoic acid

C11H21NO3 — CID 110838614

IUPAC3-methyl-3-[methyl(oxan-3-yl)amino]butanoic acid
SMILESCN(C1CCCOC1)C(C)(C)CC(=O)O
InChIInChI=1S/C11H21NO3/c1-11(2,7-10(13)14)12(3)9-5-4-6-15-8-9/h9H,4-8H2,1-3H3,(H,13,14)
InChIKeyHDFKPGQHNLKVPF-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.35
Rot. Bonds4

About 3-methyl-3-[methyl(oxan-3-yl)amino]butanoic acid

3-methyl-3-[methyl(oxan-3-yl)amino]butanoic acid (PubChem CID 110838614) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 3-methyl-3-[methyl(oxan-3-yl)amino]butanoic acid.

Molecular Properties

Compound Name3-methyl-3-[methyl(oxan-3-yl)amino]butanoic acid
PubChem CID110838614
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name3-methyl-3-[methyl(oxan-3-yl)amino]butanoic acid
SMILESCN(C1CCCOC1)C(C)(C)CC(=O)O
InChIInChI=1S/C11H21NO3/c1-11(2,7-10(13)14)12(3)9-5-4-6-15-8-9/h9H,4-8H2,1-3H3,(H,13,14)
InChIKeyHDFKPGQHNLKVPF-UHFFFAOYSA-N
XLogP1.35
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[cyclobutyl(methyl)amino]-3-methylbutanoic acid
CID 117042397
3-[(4,4-dimethylcyclohexyl)-methylamino]-3-methylbutanoic acid
CID 110838605
3-[ethyl(oxan-3-yl)amino]propanoic acid
CID 65062378
3,3-dimethyl-4-[methyl(oxan-4-yl)amino]butanoic acid
CID 115220305
3-[methyl(oxolan-3-yl)sulfamoyl]propanoic acid
CID 82731745
N-methyl-N-[(Z)-propylideneamino]oxan-3-amine
CID 126558870
5-[methyl(oxolan-3-yl)amino]-5-oxopentanoic acid
CID 82732881
2-[methyl(oxan-3-yl)amino]propan-1-ol
CID 103857883
3-amino-N,3-dimethyl-N-(oxan-3-ylmethyl)butanamide
CID 64677670
3-methyl-3-[methyl-[2-(oxan-2-yl)acetyl]amino]butanoic acid
CID 110837566
2-methyl-3-[methyl(oxepan-4-yl)amino]propanoic acid
CID 65080780
2-[methyl(oxan-3-yl)amino]ethanethioamide
CID 107134690

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-[methyl(oxan-3-yl)amino]butanoic acid?
The IUPAC name of 3-methyl-3-[methyl(oxan-3-yl)amino]butanoic acid (CID 110838614) is 3-methyl-3-[methyl(oxan-3-yl)amino]butanoic acid.
What is the SMILES notation for 3-methyl-3-[methyl(oxan-3-yl)amino]butanoic acid?
The canonical SMILES for 3-methyl-3-[methyl(oxan-3-yl)amino]butanoic acid is CN(C1CCCOC1)C(C)(C)CC(=O)O.
What is the InChIKey of 3-methyl-3-[methyl(oxan-3-yl)amino]butanoic acid?
The InChIKey is HDFKPGQHNLKVPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-11(2,7-10(13)14)12(3)9-5-4-6-15-8-9/h9H,4-8H2,1-3H3,(H,13,14).
What are the key properties of 3-methyl-3-[methyl(oxan-3-yl)amino]butanoic acid?
3-methyl-3-[methyl(oxan-3-yl)amino]butanoic acid has a molecular weight of 215.29 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-[methyl(oxan-3-yl)amino]butanoic acid is sourced from PubChem (CID 110838614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).