4-[ethyl(propan-2-yl)amino]oxane-4-carboxylic acid

C11H21NO3 — CID 82238509

IUPAC4-[ethyl(propan-2-yl)amino]oxane-4-carboxylic acid
SMILESCCN(C(C)C)C1(C(=O)O)CCOCC1
InChIInChI=1S/C11H21NO3/c1-4-12(9(2)3)11(10(13)14)5-7-15-8-6-11/h9H,4-8H2,1-3H3,(H,13,14)
InChIKeyRNCSPWVRQCATKN-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.35
Rot. Bonds4

About 4-[ethyl(propan-2-yl)amino]oxane-4-carboxylic acid

4-[ethyl(propan-2-yl)amino]oxane-4-carboxylic acid (PubChem CID 82238509) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 4-[ethyl(propan-2-yl)amino]oxane-4-carboxylic acid.

Molecular Properties

Compound Name4-[ethyl(propan-2-yl)amino]oxane-4-carboxylic acid
PubChem CID82238509
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name4-[ethyl(propan-2-yl)amino]oxane-4-carboxylic acid
SMILESCCN(C(C)C)C1(C(=O)O)CCOCC1
InChIInChI=1S/C11H21NO3/c1-4-12(9(2)3)11(10(13)14)5-7-15-8-6-11/h9H,4-8H2,1-3H3,(H,13,14)
InChIKeyRNCSPWVRQCATKN-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

1-[methyl(propan-2-yl)amino]cyclopropane-1-carboxylic acid
CID 58838583
4-(dimethylamino)oxepane-4-carboxylic acid
CID 65081196
1-[methyl(propan-2-yl)amino]cyclooctane-1-carboxylic acid
CID 82236388
3-[butan-2-yl(ethyl)amino]thiolane-3-carboxylic acid
CID 114993416
4-ethoxyoxane-4-carboxylic acid
CID 78969464
1-[butan-2-yl(methyl)amino]cyclopentane-1-carboxylic acid
CID 82238455
4-[[pentyl(propan-2-yl)amino]methyl]oxane-4-carboxylic acid
CID 62390838
2-[[4-(hydroxymethyl)oxan-4-yl]methyl-methylamino]propan-1-ol
CID 104554785
4-[(propan-2-ylamino)methyl]oxane-4-carboxylic acid
CID 84670127
1-(4-aminooxan-4-yl)-2-methylpentan-1-one
CID 107890348
3-[[propan-2-yl(propyl)amino]methyl]oxolane-3-carboxylic acid
CID 62272855
[4-(2-methylbutyl)oxan-4-yl]methanol
CID 66024312

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(propan-2-yl)amino]oxane-4-carboxylic acid?
The IUPAC name of 4-[ethyl(propan-2-yl)amino]oxane-4-carboxylic acid (CID 82238509) is 4-[ethyl(propan-2-yl)amino]oxane-4-carboxylic acid.
What is the SMILES notation for 4-[ethyl(propan-2-yl)amino]oxane-4-carboxylic acid?
The canonical SMILES for 4-[ethyl(propan-2-yl)amino]oxane-4-carboxylic acid is CCN(C(C)C)C1(C(=O)O)CCOCC1.
What is the InChIKey of 4-[ethyl(propan-2-yl)amino]oxane-4-carboxylic acid?
The InChIKey is RNCSPWVRQCATKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-4-12(9(2)3)11(10(13)14)5-7-15-8-6-11/h9H,4-8H2,1-3H3,(H,13,14).
What are the key properties of 4-[ethyl(propan-2-yl)amino]oxane-4-carboxylic acid?
4-[ethyl(propan-2-yl)amino]oxane-4-carboxylic 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 4-[ethyl(propan-2-yl)amino]oxane-4-carboxylic acid is sourced from PubChem (CID 82238509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).