4-[2-cyclopentylethyl(propyl)amino]oxolane-3-carboxylic acid

C15H27NO3 — CID 114191556

IUPAC4-[2-cyclopentylethyl(propyl)amino]oxolane-3-carboxylic acid
SMILESCCCN(CCC1CCCC1)C1COCC1C(=O)O
InChIInChI=1S/C15H27NO3/c1-2-8-16(9-7-12-5-3-4-6-12)14-11-19-10-13(14)15(17)18/h12-14H,2-11H2,1H3,(H,17,18)
InChIKeyXJYHLXZAYRLQEX-UHFFFAOYSA-N
MW269.38 g/mol
LogP2.38
Rot. Bonds7

About 4-[2-cyclopentylethyl(propyl)amino]oxolane-3-carboxylic acid

4-[2-cyclopentylethyl(propyl)amino]oxolane-3-carboxylic acid (PubChem CID 114191556) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is 4-[2-cyclopentylethyl(propyl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[2-cyclopentylethyl(propyl)amino]oxolane-3-carboxylic acid
PubChem CID114191556
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Name4-[2-cyclopentylethyl(propyl)amino]oxolane-3-carboxylic acid
SMILESCCCN(CCC1CCCC1)C1COCC1C(=O)O
InChIInChI=1S/C15H27NO3/c1-2-8-16(9-7-12-5-3-4-6-12)14-11-19-10-13(14)15(17)18/h12-14H,2-11H2,1H3,(H,17,18)
InChIKeyXJYHLXZAYRLQEX-UHFFFAOYSA-N
XLogP2.38
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[cycloheptylmethyl(propyl)amino]oxolane-3-carboxylic acid
CID 66252514
4-[cyclopropylmethyl(propyl)amino]oxolane-3-carboxylic acid
CID 66253255
4-[(3-cyclopentyl-2-hydroxypropyl)-propylamino]oxolane-3-carboxylic acid
CID 103159418
4-[but-3-ynyl(propyl)amino]oxolane-3-carboxylic acid
CID 66253813
4-[2-piperidin-1-ylethyl(propyl)amino]oxolane-3-carboxylic acid
CID 66254024
4-[4-methylsulfanylbutyl(propyl)amino]oxolane-3-carboxylic acid
CID 103090480
4-[(2-cyclobutylacetyl)-propylamino]oxolane-3-carboxylic acid
CID 103162016
4-[propyl(thiolan-3-ylmethyl)amino]oxolane-3-carboxylic acid
CID 107133724
4-[(2-methylcyclohexyl)-propylamino]oxolane-3-carboxylic acid
CID 66252128
4-[2-hydroxybutyl(propyl)amino]oxolane-3-carboxylic acid
CID 66253439
4-[acetyl(propyl)amino]oxolane-3-carboxylic acid
CID 66257984
4-[1-cyclopentylethyl(propyl)amino]oxolane-3-carboxylic acid
CID 66252512

Frequently Asked Questions

What is the IUPAC name of 4-[2-cyclopentylethyl(propyl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[2-cyclopentylethyl(propyl)amino]oxolane-3-carboxylic acid (CID 114191556) is 4-[2-cyclopentylethyl(propyl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[2-cyclopentylethyl(propyl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[2-cyclopentylethyl(propyl)amino]oxolane-3-carboxylic acid is CCCN(CCC1CCCC1)C1COCC1C(=O)O.
What is the InChIKey of 4-[2-cyclopentylethyl(propyl)amino]oxolane-3-carboxylic acid?
The InChIKey is XJYHLXZAYRLQEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-2-8-16(9-7-12-5-3-4-6-12)14-11-19-10-13(14)15(17)18/h12-14H,2-11H2,1H3,(H,17,18).
What are the key properties of 4-[2-cyclopentylethyl(propyl)amino]oxolane-3-carboxylic acid?
4-[2-cyclopentylethyl(propyl)amino]oxolane-3-carboxylic acid has a molecular weight of 269.38 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-cyclopentylethyl(propyl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 114191556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).