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

C11H20N2O4 — CID 66235417

IUPAC4-[3-(ethylamino)propanoyl-methylamino]oxolane-3-carboxylic acid
SMILESCCNCCC(=O)N(C)C1COCC1C(=O)O
InChIInChI=1S/C11H20N2O4/c1-3-12-5-4-10(14)13(2)9-7-17-6-8(9)11(15)16/h8-9,12H,3-7H2,1-2H3,(H,15,16)
InChIKeyQHUYACVHUQWLEW-UHFFFAOYSA-N
MW244.29 g/mol
LogP-0.46
Rot. Bonds6

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

4-[3-(ethylamino)propanoyl-methylamino]oxolane-3-carboxylic acid (PubChem CID 66235417) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is 4-[3-(ethylamino)propanoyl-methylamino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[3-(ethylamino)propanoyl-methylamino]oxolane-3-carboxylic acid
PubChem CID66235417
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name4-[3-(ethylamino)propanoyl-methylamino]oxolane-3-carboxylic acid
SMILESCCNCCC(=O)N(C)C1COCC1C(=O)O
InChIInChI=1S/C11H20N2O4/c1-3-12-5-4-10(14)13(2)9-7-17-6-8(9)11(15)16/h8-9,12H,3-7H2,1-2H3,(H,15,16)
InChIKeyQHUYACVHUQWLEW-UHFFFAOYSA-N
XLogP-0.46
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[3-(ethylamino)propanoyl-methylamino]oxolane-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[3-acetamidopropanoyl(methyl)amino]oxolane-3-carboxylic acid
CID 66235946
4-[hexanoyl(methyl)amino]oxolane-3-carboxylic acid
CID 66236749
4-[[3-(ethylamino)-2-methylpropanoyl]-methylamino]oxolane-3-carboxylic acid
CID 66236427
4-[methyl-[2-(propan-2-ylamino)acetyl]amino]oxolane-3-carboxylic acid
CID 66237430
4-[methyl-[2-(2,2,2-trifluoroethylamino)acetyl]amino]oxolane-3-carboxylic acid
CID 79260757
3-(ethylamino)-N-methyl-N-(2-methylcyclohexyl)propanamide
CID 62835112
4-[methyl(3-phenoxypropanoyl)amino]oxolane-3-carboxylic acid
CID 66238376
4-[[2-[1-(aminomethyl)cyclobutyl]acetyl]-methylamino]oxolane-3-carboxylic acid
CID 81168934
4-[(2-butylsulfanylacetyl)-methylamino]oxolane-3-carboxylic acid
CID 66235341
4-[3-(furan-2-yl)propanoyl-methylamino]oxolane-3-carboxylic acid
CID 66238169
4-[3-(4-aminophenyl)propanoyl-methylamino]oxolane-3-carboxylic acid
CID 115341532
4-[methyl-[3-(2-methylphenyl)propanoyl]amino]oxolane-3-carboxylic acid
CID 66235536

Frequently Asked Questions

What is the IUPAC name of 4-[3-(ethylamino)propanoyl-methylamino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[3-(ethylamino)propanoyl-methylamino]oxolane-3-carboxylic acid (CID 66235417) is 4-[3-(ethylamino)propanoyl-methylamino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[3-(ethylamino)propanoyl-methylamino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[3-(ethylamino)propanoyl-methylamino]oxolane-3-carboxylic acid is CCNCCC(=O)N(C)C1COCC1C(=O)O.
What is the InChIKey of 4-[3-(ethylamino)propanoyl-methylamino]oxolane-3-carboxylic acid?
The InChIKey is QHUYACVHUQWLEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-3-12-5-4-10(14)13(2)9-7-17-6-8(9)11(15)16/h8-9,12H,3-7H2,1-2H3,(H,15,16).
What are the key properties of 4-[3-(ethylamino)propanoyl-methylamino]oxolane-3-carboxylic acid?
4-[3-(ethylamino)propanoyl-methylamino]oxolane-3-carboxylic acid has a molecular weight of 244.29 g/mol, XLogP of -0.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(ethylamino)propanoyl-methylamino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66235417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).