4-[(2-methylcyclohexyl)-propylamino]oxolane-3-carboxylic acid

C15H27NO3 — CID 66252128

IUPAC4-[(2-methylcyclohexyl)-propylamino]oxolane-3-carboxylic acid
SMILESCCCN(C1CCCCC1C)C1COCC1C(=O)O
InChIInChI=1S/C15H27NO3/c1-3-8-16(13-7-5-4-6-11(13)2)14-10-19-9-12(14)15(17)18/h11-14H,3-10H2,1-2H3,(H,17,18)
InChIKeyJQJNPBIWQGHEOU-UHFFFAOYSA-N
MW269.38 g/mol
LogP2.38
Rot. Bonds5

About 4-[(2-methylcyclohexyl)-propylamino]oxolane-3-carboxylic acid

4-[(2-methylcyclohexyl)-propylamino]oxolane-3-carboxylic acid (PubChem CID 66252128) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is 4-[(2-methylcyclohexyl)-propylamino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[(2-methylcyclohexyl)-propylamino]oxolane-3-carboxylic acid
PubChem CID66252128
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Name4-[(2-methylcyclohexyl)-propylamino]oxolane-3-carboxylic acid
SMILESCCCN(C1CCCCC1C)C1COCC1C(=O)O
InChIInChI=1S/C15H27NO3/c1-3-8-16(13-7-5-4-6-11(13)2)14-10-19-9-12(14)15(17)18/h11-14H,3-10H2,1-2H3,(H,17,18)
InChIKeyJQJNPBIWQGHEOU-UHFFFAOYSA-N
XLogP2.38
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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-[(4,4-dimethylcyclohexyl)-propylamino]oxolane-3-carboxylic acid
CID 66251556
4-[(3-methylcyclobutyl)-propylamino]oxolane-3-carboxylic acid
CID 103565205
4-[(1,1-dioxothian-4-yl)-propylamino]oxolane-3-carboxylic acid
CID 66251366
4-[1-azabicyclo[3.2.1]octan-4-yl(propyl)amino]oxolane-3-carboxylic acid
CID 105366209
4-[methyl-[methyl-(2-methylcyclohexyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 66266721
4-[acetyl(propyl)amino]oxolane-3-carboxylic acid
CID 66257984
4-[methyl-(2-methylcyclopentyl)amino]oxolane-3-carboxylic acid
CID 66267472
4-[propyl(thiolan-3-yl)amino]oxolane-3-carboxylic acid
CID 66253306
4-[(2,2-dimethyloxan-4-yl)-propylamino]oxolane-3-carboxylic acid
CID 66252149
4-[2-cyclopentylethyl(propyl)amino]oxolane-3-carboxylic acid
CID 114191556
4-[cycloheptylmethyl(propyl)amino]oxolane-3-carboxylic acid
CID 66252514
4-[1-cyclopentylethyl(propyl)amino]oxolane-3-carboxylic acid
CID 66252512

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylcyclohexyl)-propylamino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[(2-methylcyclohexyl)-propylamino]oxolane-3-carboxylic acid (CID 66252128) is 4-[(2-methylcyclohexyl)-propylamino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[(2-methylcyclohexyl)-propylamino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[(2-methylcyclohexyl)-propylamino]oxolane-3-carboxylic acid is CCCN(C1CCCCC1C)C1COCC1C(=O)O.
What is the InChIKey of 4-[(2-methylcyclohexyl)-propylamino]oxolane-3-carboxylic acid?
The InChIKey is JQJNPBIWQGHEOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-3-8-16(13-7-5-4-6-11(13)2)14-10-19-9-12(14)15(17)18/h11-14H,3-10H2,1-2H3,(H,17,18).
What are the key properties of 4-[(2-methylcyclohexyl)-propylamino]oxolane-3-carboxylic acid?
4-[(2-methylcyclohexyl)-propylamino]oxolane-3-carboxylic acid has a molecular weight of 269.38 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylcyclohexyl)-propylamino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66252128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).