4-[(2-hydroxycycloheptyl)-methylamino]oxolane-3-carboxylic acid

C13H23NO4 — CID 66238217

IUPAC4-[(2-hydroxycycloheptyl)-methylamino]oxolane-3-carboxylic acid
SMILESCN(C1CCCCCC1O)C1COCC1C(=O)O
InChIInChI=1S/C13H23NO4/c1-14(10-5-3-2-4-6-12(10)15)11-8-18-7-9(11)13(16)17/h9-12,15H,2-8H2,1H3,(H,16,17)
InChIKeyABXKEBLISCSRJM-UHFFFAOYSA-N
MW257.33 g/mol
LogP0.71
Rot. Bonds3

About 4-[(2-hydroxycycloheptyl)-methylamino]oxolane-3-carboxylic acid

4-[(2-hydroxycycloheptyl)-methylamino]oxolane-3-carboxylic acid (PubChem CID 66238217) has the molecular formula C13H23NO4 and a molecular weight of 257.33 g/mol. Its IUPAC name is 4-[(2-hydroxycycloheptyl)-methylamino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[(2-hydroxycycloheptyl)-methylamino]oxolane-3-carboxylic acid
PubChem CID66238217
Molecular FormulaC13H23NO4
Molecular Weight257.33 g/mol
Exact Mass257.16
IUPAC Name4-[(2-hydroxycycloheptyl)-methylamino]oxolane-3-carboxylic acid
SMILESCN(C1CCCCCC1O)C1COCC1C(=O)O
InChIInChI=1S/C13H23NO4/c1-14(10-5-3-2-4-6-12(10)15)11-8-18-7-9(11)13(16)17/h9-12,15H,2-8H2,1H3,(H,16,17)
InChIKeyABXKEBLISCSRJM-UHFFFAOYSA-N
XLogP0.71
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[(2-hydroxycycloheptyl)-methylamino]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-[methyl-(2-methylcyclopentyl)amino]oxolane-3-carboxylic acid
CID 66267472
2-[(2-hydroxycyclohexyl)-methylamino]cycloheptan-1-ol
CID 102635791
4-[cyclooctanecarbonyl(methyl)amino]oxolane-3-carboxylic acid
CID 66236752
4-[(4,4-dimethylcyclohexyl)-methylamino]oxolane-3-carboxylic acid
CID 66267283
4-[methyl-[methyl-(2-methylcyclohexyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 66266721
4-[di(cyclobutyl)methyl-methylamino]oxolane-3-carboxylic acid
CID 112743509
trans-(1R,2R)-2-[methyl-(2-methylcyclohexyl)amino]cyclohexan-1-ol
CID 102732058
4-[methyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]oxolane-3-carboxylic acid
CID 102899237
4-[1-cyclohexylethyl(ethyl)amino]oxolane-3-carboxylic acid
CID 66245323
4-[(3-methoxycyclohexyl)-methylamino]oxolane-3-carboxylic acid
CID 66237410
4-[cyclopentylcarbamoyl(methyl)amino]oxolane-3-carboxylic acid
CID 66265694
2-[(2-hydroxycyclohexyl)-methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 102631714

Frequently Asked Questions

What is the IUPAC name of 4-[(2-hydroxycycloheptyl)-methylamino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[(2-hydroxycycloheptyl)-methylamino]oxolane-3-carboxylic acid (CID 66238217) is 4-[(2-hydroxycycloheptyl)-methylamino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[(2-hydroxycycloheptyl)-methylamino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[(2-hydroxycycloheptyl)-methylamino]oxolane-3-carboxylic acid is CN(C1CCCCCC1O)C1COCC1C(=O)O.
What is the InChIKey of 4-[(2-hydroxycycloheptyl)-methylamino]oxolane-3-carboxylic acid?
The InChIKey is ABXKEBLISCSRJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO4/c1-14(10-5-3-2-4-6-12(10)15)11-8-18-7-9(11)13(16)17/h9-12,15H,2-8H2,1H3,(H,16,17).
What are the key properties of 4-[(2-hydroxycycloheptyl)-methylamino]oxolane-3-carboxylic acid?
4-[(2-hydroxycycloheptyl)-methylamino]oxolane-3-carboxylic acid has a molecular weight of 257.33 g/mol, XLogP of 0.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-hydroxycycloheptyl)-methylamino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66238217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).