4-[(4,4-dimethylcyclohexyl)-propylamino]oxolane-3-carboxylic acid

C16H29NO3 — CID 66251556

IUPAC4-[(4,4-dimethylcyclohexyl)-propylamino]oxolane-3-carboxylic acid
SMILESCCCN(C1CCC(C)(C)CC1)C1COCC1C(=O)O
InChIInChI=1S/C16H29NO3/c1-4-9-17(12-5-7-16(2,3)8-6-12)14-11-20-10-13(14)15(18)19/h12-14H,4-11H2,1-3H3,(H,18,19)
InChIKeyYADXUVJAHSFOJO-UHFFFAOYSA-N
MW283.41 g/mol
LogP2.77
Rot. Bonds5

About 4-[(4,4-dimethylcyclohexyl)-propylamino]oxolane-3-carboxylic acid

4-[(4,4-dimethylcyclohexyl)-propylamino]oxolane-3-carboxylic acid (PubChem CID 66251556) has the molecular formula C16H29NO3 and a molecular weight of 283.41 g/mol. Its IUPAC name is 4-[(4,4-dimethylcyclohexyl)-propylamino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[(4,4-dimethylcyclohexyl)-propylamino]oxolane-3-carboxylic acid
PubChem CID66251556
Molecular FormulaC16H29NO3
Molecular Weight283.41 g/mol
Exact Mass283.21
IUPAC Name4-[(4,4-dimethylcyclohexyl)-propylamino]oxolane-3-carboxylic acid
SMILESCCCN(C1CCC(C)(C)CC1)C1COCC1C(=O)O
InChIInChI=1S/C16H29NO3/c1-4-9-17(12-5-7-16(2,3)8-6-12)14-11-20-10-13(14)15(18)19/h12-14H,4-11H2,1-3H3,(H,18,19)
InChIKeyYADXUVJAHSFOJO-UHFFFAOYSA-N
XLogP2.77
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[(4,4-dimethylcyclohexyl)-propylamino]oxolane-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(1,1-dioxothian-4-yl)-propylamino]oxolane-3-carboxylic acid
CID 66251366
4-[(3-methylcyclobutyl)-propylamino]oxolane-3-carboxylic acid
CID 103565205
4-[(2,2-dimethyloxan-4-yl)-propylamino]oxolane-3-carboxylic acid
CID 66252149
4-[(5,5-dimethylthian-3-yl)-propylamino]oxolane-3-carboxylic acid
CID 79947043
4-[(2-methylcyclohexyl)-propylamino]oxolane-3-carboxylic acid
CID 66252128
4-[propyl(thiolan-3-yl)amino]oxolane-3-carboxylic acid
CID 66253306
4-[(4,4-dimethylcyclohexyl)-methylamino]oxolane-3-carboxylic acid
CID 66267283
4-[acetyl(propyl)amino]oxolane-3-carboxylic acid
CID 66257984
4-[ethyl(thian-4-yl)amino]oxolane-3-carboxylic acid
CID 66245719
4-[(2,2-dimethylcyclopentyl)-ethylamino]oxolane-3-carboxylic acid
CID 79863742
4-[ethyl-(1-propylpiperidin-4-yl)amino]oxolane-3-carboxylic acid
CID 66244930
4-[1-azabicyclo[3.2.1]octan-4-yl(propyl)amino]oxolane-3-carboxylic acid
CID 105366209

Frequently Asked Questions

What is the IUPAC name of 4-[(4,4-dimethylcyclohexyl)-propylamino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[(4,4-dimethylcyclohexyl)-propylamino]oxolane-3-carboxylic acid (CID 66251556) is 4-[(4,4-dimethylcyclohexyl)-propylamino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[(4,4-dimethylcyclohexyl)-propylamino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[(4,4-dimethylcyclohexyl)-propylamino]oxolane-3-carboxylic acid is CCCN(C1CCC(C)(C)CC1)C1COCC1C(=O)O.
What is the InChIKey of 4-[(4,4-dimethylcyclohexyl)-propylamino]oxolane-3-carboxylic acid?
The InChIKey is YADXUVJAHSFOJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO3/c1-4-9-17(12-5-7-16(2,3)8-6-12)14-11-20-10-13(14)15(18)19/h12-14H,4-11H2,1-3H3,(H,18,19).
What are the key properties of 4-[(4,4-dimethylcyclohexyl)-propylamino]oxolane-3-carboxylic acid?
4-[(4,4-dimethylcyclohexyl)-propylamino]oxolane-3-carboxylic acid has a molecular weight of 283.41 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4,4-dimethylcyclohexyl)-propylamino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66251556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).