4-[1-cyclopentylethyl(propyl)amino]oxolane-3-carboxylic acid

C15H27NO3 — CID 66252512

IUPAC4-[1-cyclopentylethyl(propyl)amino]oxolane-3-carboxylic acid
SMILESCCCN(C(C)C1CCCC1)C1COCC1C(=O)O
InChIInChI=1S/C15H27NO3/c1-3-8-16(11(2)12-6-4-5-7-12)14-10-19-9-13(14)15(17)18/h11-14H,3-10H2,1-2H3,(H,17,18)
InChIKeyYGVWZKFCTFRSLX-UHFFFAOYSA-N
MW269.38 g/mol
LogP2.38
Rot. Bonds6

About 4-[1-cyclopentylethyl(propyl)amino]oxolane-3-carboxylic acid

4-[1-cyclopentylethyl(propyl)amino]oxolane-3-carboxylic acid (PubChem CID 66252512) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is 4-[1-cyclopentylethyl(propyl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[1-cyclopentylethyl(propyl)amino]oxolane-3-carboxylic acid
PubChem CID66252512
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Name4-[1-cyclopentylethyl(propyl)amino]oxolane-3-carboxylic acid
SMILESCCCN(C(C)C1CCCC1)C1COCC1C(=O)O
InChIInChI=1S/C15H27NO3/c1-3-8-16(11(2)12-6-4-5-7-12)14-10-19-9-13(14)15(17)18/h11-14H,3-10H2,1-2H3,(H,17,18)
InChIKeyYGVWZKFCTFRSLX-UHFFFAOYSA-N
XLogP2.38
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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-[1-cyclohexylethyl(ethyl)amino]oxolane-3-carboxylic acid
CID 66245323
4-[4-methoxybutan-2-yl(propyl)amino]oxolane-3-carboxylic acid
CID 66251760
4-[[1-(carbamoylamino)-1-oxopropan-2-yl]-propylamino]oxolane-3-carboxylic acid
CID 66251302
4-[ethyl(pentan-2-yl)amino]oxolane-3-carboxylic acid
CID 66247901
4-[(2-methylcyclohexyl)-propylamino]oxolane-3-carboxylic acid
CID 66252128
4-[acetyl(propyl)amino]oxolane-3-carboxylic acid
CID 66257984
4-[(3-cyclopentyl-2-hydroxypropyl)-propylamino]oxolane-3-carboxylic acid
CID 103159418
4-[2-cyclopentylethyl(propyl)amino]oxolane-3-carboxylic acid
CID 114191556
4-[cycloheptylmethyl(propyl)amino]oxolane-3-carboxylic acid
CID 66252514
4-[cyclohexylcarbamoyl(propyl)amino]oxolane-3-carboxylic acid
CID 66254172
4-[cyclopropylmethyl(propyl)amino]oxolane-3-carboxylic acid
CID 66253255
4-[propyl(1-pyrazin-2-ylethyl)amino]oxolane-3-carboxylic acid
CID 66252141

Frequently Asked Questions

What is the IUPAC name of 4-[1-cyclopentylethyl(propyl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[1-cyclopentylethyl(propyl)amino]oxolane-3-carboxylic acid (CID 66252512) is 4-[1-cyclopentylethyl(propyl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[1-cyclopentylethyl(propyl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[1-cyclopentylethyl(propyl)amino]oxolane-3-carboxylic acid is CCCN(C(C)C1CCCC1)C1COCC1C(=O)O.
What is the InChIKey of 4-[1-cyclopentylethyl(propyl)amino]oxolane-3-carboxylic acid?
The InChIKey is YGVWZKFCTFRSLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-3-8-16(11(2)12-6-4-5-7-12)14-10-19-9-13(14)15(17)18/h11-14H,3-10H2,1-2H3,(H,17,18).
What are the key properties of 4-[1-cyclopentylethyl(propyl)amino]oxolane-3-carboxylic acid?
4-[1-cyclopentylethyl(propyl)amino]oxolane-3-carboxylic acid has a molecular weight of 269.38 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-cyclopentylethyl(propyl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66252512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).