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

C14H25NO3 — CID 79863742

IUPAC4-[(2,2-dimethylcyclopentyl)-ethylamino]oxolane-3-carboxylic acid
SMILESCCN(C1COCC1C(=O)O)C1CCCC1(C)C
InChIInChI=1S/C14H25NO3/c1-4-15(12-6-5-7-14(12,2)3)11-9-18-8-10(11)13(16)17/h10-12H,4-9H2,1-3H3,(H,16,17)
InChIKeyJBIIFOGLMMSEGX-UHFFFAOYSA-N
MW255.36 g/mol
LogP1.99
Rot. Bonds4

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

4-[(2,2-dimethylcyclopentyl)-ethylamino]oxolane-3-carboxylic acid (PubChem CID 79863742) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 4-[(2,2-dimethylcyclopentyl)-ethylamino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[(2,2-dimethylcyclopentyl)-ethylamino]oxolane-3-carboxylic acid
PubChem CID79863742
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name4-[(2,2-dimethylcyclopentyl)-ethylamino]oxolane-3-carboxylic acid
SMILESCCN(C1COCC1C(=O)O)C1CCCC1(C)C
InChIInChI=1S/C14H25NO3/c1-4-15(12-6-5-7-14(12,2)3)11-9-18-8-10(11)13(16)17/h10-12H,4-9H2,1-3H3,(H,16,17)
InChIKeyJBIIFOGLMMSEGX-UHFFFAOYSA-N
XLogP1.99
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2,2-dimethylcyclopentanecarbonyl)-ethylamino]oxolane-3-carboxylic acid
CID 107175663
4-[ethyl-(2-methoxycyclohexyl)amino]oxolane-3-carboxylic acid
CID 106874529
4-[(4,4-dimethylcyclohexyl)-propylamino]oxolane-3-carboxylic acid
CID 66251556
4-[ethyl(thian-4-yl)amino]oxolane-3-carboxylic acid
CID 66245719
4-[ethyl-[4-(trifluoromethyl)cyclohexyl]amino]oxolane-3-carboxylic acid
CID 66247310
4-[(2-methylcyclohexyl)-propylamino]oxolane-3-carboxylic acid
CID 66252128
4-[cyclohex-2-en-1-yl(ethyl)amino]oxolane-3-carboxylic acid
CID 114620459
4-[ethyl-(1-propylpiperidin-4-yl)amino]oxolane-3-carboxylic acid
CID 66244930
4-[1-cyclohexylethyl(ethyl)amino]oxolane-3-carboxylic acid
CID 66245323
4-[(4,4-dimethylcyclohexyl)-methylamino]oxolane-3-carboxylic acid
CID 66267283
4-[ethyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]oxolane-3-carboxylic acid
CID 102899238
4-[(1-aminocyclohexanecarbonyl)-ethylamino]oxolane-3-carboxylic acid
CID 66247719

Frequently Asked Questions

What is the IUPAC name of 4-[(2,2-dimethylcyclopentyl)-ethylamino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[(2,2-dimethylcyclopentyl)-ethylamino]oxolane-3-carboxylic acid (CID 79863742) is 4-[(2,2-dimethylcyclopentyl)-ethylamino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[(2,2-dimethylcyclopentyl)-ethylamino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[(2,2-dimethylcyclopentyl)-ethylamino]oxolane-3-carboxylic acid is CCN(C1COCC1C(=O)O)C1CCCC1(C)C.
What is the InChIKey of 4-[(2,2-dimethylcyclopentyl)-ethylamino]oxolane-3-carboxylic acid?
The InChIKey is JBIIFOGLMMSEGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-4-15(12-6-5-7-14(12,2)3)11-9-18-8-10(11)13(16)17/h10-12H,4-9H2,1-3H3,(H,16,17).
What are the key properties of 4-[(2,2-dimethylcyclopentyl)-ethylamino]oxolane-3-carboxylic acid?
4-[(2,2-dimethylcyclopentyl)-ethylamino]oxolane-3-carboxylic acid has a molecular weight of 255.36 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,2-dimethylcyclopentyl)-ethylamino]oxolane-3-carboxylic acid is sourced from PubChem (CID 79863742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).