4-[[3-(ethylamino)-2-methylpropanoyl]-methylamino]oxolane-3-carboxylic acid

C12H22N2O4 — CID 66236427

IUPAC4-[[3-(ethylamino)-2-methylpropanoyl]-methylamino]oxolane-3-carboxylic acid
SMILESCCNCC(C)C(=O)N(C)C1COCC1C(=O)O
InChIInChI=1S/C12H22N2O4/c1-4-13-5-8(2)11(15)14(3)10-7-18-6-9(10)12(16)17/h8-10,13H,4-7H2,1-3H3,(H,16,17)
InChIKeyBAPDBHUDBKQLOR-UHFFFAOYSA-N
MW258.32 g/mol
LogP-0.21
Rot. Bonds6

About 4-[[3-(ethylamino)-2-methylpropanoyl]-methylamino]oxolane-3-carboxylic acid

4-[[3-(ethylamino)-2-methylpropanoyl]-methylamino]oxolane-3-carboxylic acid (PubChem CID 66236427) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is 4-[[3-(ethylamino)-2-methylpropanoyl]-methylamino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[[3-(ethylamino)-2-methylpropanoyl]-methylamino]oxolane-3-carboxylic acid
PubChem CID66236427
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Name4-[[3-(ethylamino)-2-methylpropanoyl]-methylamino]oxolane-3-carboxylic acid
SMILESCCNCC(C)C(=O)N(C)C1COCC1C(=O)O
InChIInChI=1S/C12H22N2O4/c1-4-13-5-8(2)11(15)14(3)10-7-18-6-9(10)12(16)17/h8-10,13H,4-7H2,1-3H3,(H,16,17)
InChIKeyBAPDBHUDBKQLOR-UHFFFAOYSA-N
XLogP-0.21
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-cyclopropylpropanoyl(methyl)amino]oxolane-3-carboxylic acid
CID 83146395
4-[3-(ethylamino)propanoyl-methylamino]oxolane-3-carboxylic acid
CID 66235417
3-(ethylamino)-N,2-dimethyl-N-(2-methyloxolan-3-yl)propanamide
CID 82738487
4-[2-acetamidopropanoyl(methyl)amino]oxolane-3-carboxylic acid
CID 66238166
4-[[(2R)-2-aminopentanoyl]-methylamino]oxolane-3-carboxylic acid
CID 107570009
4-[methyl-[2-(propan-2-ylamino)acetyl]amino]oxolane-3-carboxylic acid
CID 66237430
4-[methyl(3-methylpentan-2-ylcarbamoyl)amino]oxolane-3-carboxylic acid
CID 66267696
4-[methyl(3-methylbutan-2-ylcarbamoyl)amino]oxolane-3-carboxylic acid
CID 66267863
4-[(3-amino-2-methoxypropanoyl)-methylamino]oxolane-3-carboxylic acid
CID 114145124
4-[1-(diethylamino)propan-2-ylcarbamoyl-methylamino]oxolane-3-carboxylic acid
CID 66267510
4-[methyl(pent-4-yn-2-ylcarbamoyl)amino]oxolane-3-carboxylic acid
CID 113478027
4-[2,2-dimethylpropylcarbamoyl(methyl)amino]oxolane-3-carboxylic acid
CID 66266712

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(ethylamino)-2-methylpropanoyl]-methylamino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[[3-(ethylamino)-2-methylpropanoyl]-methylamino]oxolane-3-carboxylic acid (CID 66236427) is 4-[[3-(ethylamino)-2-methylpropanoyl]-methylamino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[[3-(ethylamino)-2-methylpropanoyl]-methylamino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[[3-(ethylamino)-2-methylpropanoyl]-methylamino]oxolane-3-carboxylic acid is CCNCC(C)C(=O)N(C)C1COCC1C(=O)O.
What is the InChIKey of 4-[[3-(ethylamino)-2-methylpropanoyl]-methylamino]oxolane-3-carboxylic acid?
The InChIKey is BAPDBHUDBKQLOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-4-13-5-8(2)11(15)14(3)10-7-18-6-9(10)12(16)17/h8-10,13H,4-7H2,1-3H3,(H,16,17).
What are the key properties of 4-[[3-(ethylamino)-2-methylpropanoyl]-methylamino]oxolane-3-carboxylic acid?
4-[[3-(ethylamino)-2-methylpropanoyl]-methylamino]oxolane-3-carboxylic acid has a molecular weight of 258.32 g/mol, XLogP of -0.21, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(ethylamino)-2-methylpropanoyl]-methylamino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66236427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).