4-[(2,2-dimethylcyclopentanecarbonyl)-ethylamino]oxolane-3-carboxylic acid

C15H25NO4 — CID 107175663

IUPAC4-[(2,2-dimethylcyclopentanecarbonyl)-ethylamino]oxolane-3-carboxylic acid
SMILESCCN(C(=O)C1CCCC1(C)C)C1COCC1C(=O)O
InChIInChI=1S/C15H25NO4/c1-4-16(12-9-20-8-10(12)14(18)19)13(17)11-6-5-7-15(11,2)3/h10-12H,4-9H2,1-3H3,(H,18,19)
InChIKeyXNAVTEVSRDJNMJ-UHFFFAOYSA-N
MW283.37 g/mol
LogP1.76
Rot. Bonds4

About 4-[(2,2-dimethylcyclopentanecarbonyl)-ethylamino]oxolane-3-carboxylic acid

4-[(2,2-dimethylcyclopentanecarbonyl)-ethylamino]oxolane-3-carboxylic acid (PubChem CID 107175663) has the molecular formula C15H25NO4 and a molecular weight of 283.37 g/mol. Its IUPAC name is 4-[(2,2-dimethylcyclopentanecarbonyl)-ethylamino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[(2,2-dimethylcyclopentanecarbonyl)-ethylamino]oxolane-3-carboxylic acid
PubChem CID107175663
Molecular FormulaC15H25NO4
Molecular Weight283.37 g/mol
Exact Mass283.18
IUPAC Name4-[(2,2-dimethylcyclopentanecarbonyl)-ethylamino]oxolane-3-carboxylic acid
SMILESCCN(C(=O)C1CCCC1(C)C)C1COCC1C(=O)O
InChIInChI=1S/C15H25NO4/c1-4-16(12-9-20-8-10(12)14(18)19)13(17)11-6-5-7-15(11,2)3/h10-12H,4-9H2,1-3H3,(H,18,19)
InChIKeyXNAVTEVSRDJNMJ-UHFFFAOYSA-N
XLogP1.76
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2,2-dimethylcyclopentyl)-ethylamino]oxolane-3-carboxylic acid
CID 79863742
4-[ethyl-(3-methylpyrrolidine-2-carbonyl)amino]oxolane-3-carboxylic acid
CID 102779661
4-[ethyl-[(2S)-pyrrolidine-2-carbonyl]amino]oxolane-3-carboxylic acid
CID 66247506
4-[cyclopent-3-ene-1-carbonyl(ethyl)amino]oxolane-3-carboxylic acid
CID 66246028
4-[(1-aminocyclohexanecarbonyl)-ethylamino]oxolane-3-carboxylic acid
CID 66247719
4-[ethyl(methylcarbamoyl)amino]oxolane-3-carboxylic acid
CID 66245135
4-[acetyl(propyl)amino]oxolane-3-carboxylic acid
CID 66257984
4-[ethyl-(4-hydroxypiperidine-1-carbonyl)amino]oxolane-3-carboxylic acid
CID 66245727
4-[ethyl(oxan-4-ylcarbamoyl)amino]oxolane-3-carboxylic acid
CID 66246319
4-[[1-(aminomethyl)cyclopentanecarbonyl]-propylamino]oxolane-3-carboxylic acid
CID 115435371
4-[(2-methylcyclohexyl)-propylamino]oxolane-3-carboxylic acid
CID 66252128
4-[ethyl(2-methylpentanoyl)amino]oxolane-3-carboxylic acid
CID 66245844

Frequently Asked Questions

What is the IUPAC name of 4-[(2,2-dimethylcyclopentanecarbonyl)-ethylamino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[(2,2-dimethylcyclopentanecarbonyl)-ethylamino]oxolane-3-carboxylic acid (CID 107175663) is 4-[(2,2-dimethylcyclopentanecarbonyl)-ethylamino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[(2,2-dimethylcyclopentanecarbonyl)-ethylamino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[(2,2-dimethylcyclopentanecarbonyl)-ethylamino]oxolane-3-carboxylic acid is CCN(C(=O)C1CCCC1(C)C)C1COCC1C(=O)O.
What is the InChIKey of 4-[(2,2-dimethylcyclopentanecarbonyl)-ethylamino]oxolane-3-carboxylic acid?
The InChIKey is XNAVTEVSRDJNMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO4/c1-4-16(12-9-20-8-10(12)14(18)19)13(17)11-6-5-7-15(11,2)3/h10-12H,4-9H2,1-3H3,(H,18,19).
What are the key properties of 4-[(2,2-dimethylcyclopentanecarbonyl)-ethylamino]oxolane-3-carboxylic acid?
4-[(2,2-dimethylcyclopentanecarbonyl)-ethylamino]oxolane-3-carboxylic acid has a molecular weight of 283.37 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,2-dimethylcyclopentanecarbonyl)-ethylamino]oxolane-3-carboxylic acid is sourced from PubChem (CID 107175663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).