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

C13H23NO4 — CID 66245844

IUPAC4-[ethyl(2-methylpentanoyl)amino]oxolane-3-carboxylic acid
SMILESCCCC(C)C(=O)N(CC)C1COCC1C(=O)O
InChIInChI=1S/C13H23NO4/c1-4-6-9(3)12(15)14(5-2)11-8-18-7-10(11)13(16)17/h9-11H,4-8H2,1-3H3,(H,16,17)
InChIKeyGKOLGGONKQHHCC-UHFFFAOYSA-N
MW257.33 g/mol
LogP1.37
Rot. Bonds6

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

4-[ethyl(2-methylpentanoyl)amino]oxolane-3-carboxylic acid (PubChem CID 66245844) has the molecular formula C13H23NO4 and a molecular weight of 257.33 g/mol. Its IUPAC name is 4-[ethyl(2-methylpentanoyl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[ethyl(2-methylpentanoyl)amino]oxolane-3-carboxylic acid
PubChem CID66245844
Molecular FormulaC13H23NO4
Molecular Weight257.33 g/mol
Exact Mass257.16
IUPAC Name4-[ethyl(2-methylpentanoyl)amino]oxolane-3-carboxylic acid
SMILESCCCC(C)C(=O)N(CC)C1COCC1C(=O)O
InChIInChI=1S/C13H23NO4/c1-4-6-9(3)12(15)14(5-2)11-8-18-7-10(11)13(16)17/h9-11H,4-8H2,1-3H3,(H,16,17)
InChIKeyGKOLGGONKQHHCC-UHFFFAOYSA-N
XLogP1.37
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[ethyl(pentan-2-yl)amino]oxolane-3-carboxylic acid
CID 66247901
4-[propyl(2-propylpentanoyl)amino]oxolane-3-carboxylic acid
CID 82985265
4-[(3,5-dimethylpiperidine-1-carbonyl)-ethylamino]oxolane-3-carboxylic acid
CID 66245344
4-[ethyl(2-methylpropoxycarbonyl)amino]oxolane-3-carboxylic acid
CID 66246438
4-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoyl-ethylamino]oxolane-3-carboxylic acid
CID 66246519
4-[ethyl(methylcarbamoyl)amino]oxolane-3-carboxylic acid
CID 66245135
4-[methyl(2-methylpentyl)amino]oxolane-3-carboxylic acid
CID 66236014
4-[[1-(diethylamino)-1-oxopropan-2-yl]-ethylamino]oxolane-3-carboxylic acid
CID 66246693
4-[ethyl-(4-hydroxypiperidine-1-carbonyl)amino]oxolane-3-carboxylic acid
CID 66245727
4-[ethyl-[ethyl(2-methylbutyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 79482624
4-[[(2R)-2-aminopentanoyl]-methylamino]oxolane-3-carboxylic acid
CID 107570009
4-[ethyl-(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]oxolane-3-carboxylic acid
CID 102962016

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(2-methylpentanoyl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[ethyl(2-methylpentanoyl)amino]oxolane-3-carboxylic acid (CID 66245844) is 4-[ethyl(2-methylpentanoyl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[ethyl(2-methylpentanoyl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[ethyl(2-methylpentanoyl)amino]oxolane-3-carboxylic acid is CCCC(C)C(=O)N(CC)C1COCC1C(=O)O.
What is the InChIKey of 4-[ethyl(2-methylpentanoyl)amino]oxolane-3-carboxylic acid?
The InChIKey is GKOLGGONKQHHCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO4/c1-4-6-9(3)12(15)14(5-2)11-8-18-7-10(11)13(16)17/h9-11H,4-8H2,1-3H3,(H,16,17).
What are the key properties of 4-[ethyl(2-methylpentanoyl)amino]oxolane-3-carboxylic acid?
4-[ethyl(2-methylpentanoyl)amino]oxolane-3-carboxylic acid has a molecular weight of 257.33 g/mol, XLogP of 1.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(2-methylpentanoyl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66245844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).