4-[ethyl(pentan-2-yl)amino]oxolane-3-carboxylic acid

C12H23NO3 — CID 66247901

IUPAC4-[ethyl(pentan-2-yl)amino]oxolane-3-carboxylic acid
SMILESCCCC(C)N(CC)C1COCC1C(=O)O
InChIInChI=1S/C12H23NO3/c1-4-6-9(3)13(5-2)11-8-16-7-10(11)12(14)15/h9-11H,4-8H2,1-3H3,(H,14,15)
InChIKeyRILSYQPHDVKKBM-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.60
Rot. Bonds6

About 4-[ethyl(pentan-2-yl)amino]oxolane-3-carboxylic acid

4-[ethyl(pentan-2-yl)amino]oxolane-3-carboxylic acid (PubChem CID 66247901) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is 4-[ethyl(pentan-2-yl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[ethyl(pentan-2-yl)amino]oxolane-3-carboxylic acid
PubChem CID66247901
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name4-[ethyl(pentan-2-yl)amino]oxolane-3-carboxylic acid
SMILESCCCC(C)N(CC)C1COCC1C(=O)O
InChIInChI=1S/C12H23NO3/c1-4-6-9(3)13(5-2)11-8-16-7-10(11)12(14)15/h9-11H,4-8H2,1-3H3,(H,14,15)
InChIKeyRILSYQPHDVKKBM-UHFFFAOYSA-N
XLogP1.60
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[1-(diethylamino)-1-oxopropan-2-yl]-ethylamino]oxolane-3-carboxylic acid
CID 66246693
4-[4-methoxybutan-2-yl(propyl)amino]oxolane-3-carboxylic acid
CID 66251760
4-[ethyl(2-methylpentanoyl)amino]oxolane-3-carboxylic acid
CID 66245844
4-[1-cyclohexylethyl(ethyl)amino]oxolane-3-carboxylic acid
CID 66245323
4-[ethyl-[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]oxolane-3-carboxylic acid
CID 66246896
4-[ethyl-[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]oxolane-3-carboxylic acid
CID 66245904
4-[methyl(2-methylpentyl)amino]oxolane-3-carboxylic acid
CID 66236014
4-[ethyl(3-methylbutyl)amino]oxolane-3-carboxylic acid
CID 66245116
4-[1-cyclopentylethyl(propyl)amino]oxolane-3-carboxylic acid
CID 66252512
4-[propyl(2-propylpentanoyl)amino]oxolane-3-carboxylic acid
CID 82985265
4-[[(2R)-2-aminopentanoyl]-methylamino]oxolane-3-carboxylic acid
CID 107570009
4-[(3,5-dimethylpiperidine-1-carbonyl)-ethylamino]oxolane-3-carboxylic acid
CID 66245344

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(pentan-2-yl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[ethyl(pentan-2-yl)amino]oxolane-3-carboxylic acid (CID 66247901) is 4-[ethyl(pentan-2-yl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[ethyl(pentan-2-yl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[ethyl(pentan-2-yl)amino]oxolane-3-carboxylic acid is CCCC(C)N(CC)C1COCC1C(=O)O.
What is the InChIKey of 4-[ethyl(pentan-2-yl)amino]oxolane-3-carboxylic acid?
The InChIKey is RILSYQPHDVKKBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-4-6-9(3)13(5-2)11-8-16-7-10(11)12(14)15/h9-11H,4-8H2,1-3H3,(H,14,15).
What are the key properties of 4-[ethyl(pentan-2-yl)amino]oxolane-3-carboxylic acid?
4-[ethyl(pentan-2-yl)amino]oxolane-3-carboxylic acid has a molecular weight of 229.32 g/mol, XLogP of 1.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(pentan-2-yl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66247901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).