4-[(1-aminocyclohexanecarbonyl)-ethylamino]oxolane-3-carboxylic acid

C14H24N2O4 — CID 66247719

IUPAC4-[(1-aminocyclohexanecarbonyl)-ethylamino]oxolane-3-carboxylic acid
SMILESCCN(C(=O)C1(N)CCCCC1)C1COCC1C(=O)O
InChIInChI=1S/C14H24N2O4/c1-2-16(11-9-20-8-10(11)12(17)18)13(19)14(15)6-4-3-5-7-14/h10-11H,2-9,15H2,1H3,(H,17,18)
InChIKeyGFGDIJPRELVGKP-UHFFFAOYSA-N
MW284.36 g/mol
LogP0.60
Rot. Bonds4

About 4-[(1-aminocyclohexanecarbonyl)-ethylamino]oxolane-3-carboxylic acid

4-[(1-aminocyclohexanecarbonyl)-ethylamino]oxolane-3-carboxylic acid (PubChem CID 66247719) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 4-[(1-aminocyclohexanecarbonyl)-ethylamino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[(1-aminocyclohexanecarbonyl)-ethylamino]oxolane-3-carboxylic acid
PubChem CID66247719
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name4-[(1-aminocyclohexanecarbonyl)-ethylamino]oxolane-3-carboxylic acid
SMILESCCN(C(=O)C1(N)CCCCC1)C1COCC1C(=O)O
InChIInChI=1S/C14H24N2O4/c1-2-16(11-9-20-8-10(11)12(17)18)13(19)14(15)6-4-3-5-7-14/h10-11H,2-9,15H2,1H3,(H,17,18)
InChIKeyGFGDIJPRELVGKP-UHFFFAOYSA-N
XLogP0.60
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[(1-aminocyclohexanecarbonyl)-ethylamino]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-[[1-(aminomethyl)cyclopentanecarbonyl]-propylamino]oxolane-3-carboxylic acid
CID 115435371
4-[ethyl-(3-propylpyrrolidine-3-carbonyl)amino]oxolane-3-carboxylic acid
CID 66247507
4-[(2,2-dimethylcyclopentanecarbonyl)-ethylamino]oxolane-3-carboxylic acid
CID 107175663
4-[ethyl(methylcarbamoyl)amino]oxolane-3-carboxylic acid
CID 66245135
4-[[1-(aminomethyl)cyclopropanecarbonyl]-propylamino]oxolane-3-carboxylic acid
CID 115453467
4-[ethyl(2-methylpropoxycarbonyl)amino]oxolane-3-carboxylic acid
CID 66246438
4-[cyclopent-3-ene-1-carbonyl(ethyl)amino]oxolane-3-carboxylic acid
CID 66246028
4-[ethyl(2-methylpentanoyl)amino]oxolane-3-carboxylic acid
CID 66245844
4-[[2-[acetyl(methyl)amino]acetyl]-ethylamino]oxolane-3-carboxylic acid
CID 66246837
4-[(2-acetamidoacetyl)-ethylamino]oxolane-3-carboxylic acid
CID 66245449
4-[ethyl-[(2S)-pyrrolidine-2-carbonyl]amino]oxolane-3-carboxylic acid
CID 66247506
4-[acetyl(propyl)amino]oxolane-3-carboxylic acid
CID 66257984

Frequently Asked Questions

What is the IUPAC name of 4-[(1-aminocyclohexanecarbonyl)-ethylamino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[(1-aminocyclohexanecarbonyl)-ethylamino]oxolane-3-carboxylic acid (CID 66247719) is 4-[(1-aminocyclohexanecarbonyl)-ethylamino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[(1-aminocyclohexanecarbonyl)-ethylamino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[(1-aminocyclohexanecarbonyl)-ethylamino]oxolane-3-carboxylic acid is CCN(C(=O)C1(N)CCCCC1)C1COCC1C(=O)O.
What is the InChIKey of 4-[(1-aminocyclohexanecarbonyl)-ethylamino]oxolane-3-carboxylic acid?
The InChIKey is GFGDIJPRELVGKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-2-16(11-9-20-8-10(11)12(17)18)13(19)14(15)6-4-3-5-7-14/h10-11H,2-9,15H2,1H3,(H,17,18).
What are the key properties of 4-[(1-aminocyclohexanecarbonyl)-ethylamino]oxolane-3-carboxylic acid?
4-[(1-aminocyclohexanecarbonyl)-ethylamino]oxolane-3-carboxylic acid has a molecular weight of 284.36 g/mol, XLogP of 0.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-aminocyclohexanecarbonyl)-ethylamino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66247719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).