4-[(3-methoxycyclohexyl)-methylamino]oxolane-3-carboxylic acid

C13H23NO4 — CID 66237410

IUPAC4-[(3-methoxycyclohexyl)-methylamino]oxolane-3-carboxylic acid
SMILESCOC1CCCC(N(C)C2COCC2C(=O)O)C1
InChIInChI=1S/C13H23NO4/c1-14(9-4-3-5-10(6-9)17-2)12-8-18-7-11(12)13(15)16/h9-12H,3-8H2,1-2H3,(H,15,16)
InChIKeyCKFTUIWWSSVNSS-UHFFFAOYSA-N
MW257.33 g/mol
LogP0.98
Rot. Bonds4

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

4-[(3-methoxycyclohexyl)-methylamino]oxolane-3-carboxylic acid (PubChem CID 66237410) has the molecular formula C13H23NO4 and a molecular weight of 257.33 g/mol. Its IUPAC name is 4-[(3-methoxycyclohexyl)-methylamino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[(3-methoxycyclohexyl)-methylamino]oxolane-3-carboxylic acid
PubChem CID66237410
Molecular FormulaC13H23NO4
Molecular Weight257.33 g/mol
Exact Mass257.16
IUPAC Name4-[(3-methoxycyclohexyl)-methylamino]oxolane-3-carboxylic acid
SMILESCOC1CCCC(N(C)C2COCC2C(=O)O)C1
InChIInChI=1S/C13H23NO4/c1-14(9-4-3-5-10(6-9)17-2)12-8-18-7-11(12)13(15)16/h9-12H,3-8H2,1-2H3,(H,15,16)
InChIKeyCKFTUIWWSSVNSS-UHFFFAOYSA-N
XLogP0.98
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[methyl-[3-(2-methylpropyl)cyclohexyl]amino]oxolane-3-carboxylic acid
CID 107430466
4-[methyl-(2-methylcyclopentyl)amino]oxolane-3-carboxylic acid
CID 66267472
4-[(4,4-dimethylcyclohexyl)-methylamino]oxolane-3-carboxylic acid
CID 66267283
4-[methyl-(2-propan-2-yloxan-4-yl)amino]oxolane-3-carboxylic acid
CID 66267670
4-[(2-hydroxycycloheptyl)-methylamino]oxolane-3-carboxylic acid
CID 66238217
4-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]-methylamino]oxolane-3-carboxylic acid
CID 104967966
cis-(1S,3R)-3-methoxycyclohexane-1-carboxylic acid
CID 853156
4-[di(cyclobutyl)methyl-methylamino]oxolane-3-carboxylic acid
CID 112743509
4-[ethyl-(3-methoxypiperidine-1-carbonyl)amino]oxolane-3-carboxylic acid
CID 102962926
4-[methyl-(2-methylcyclopentanecarbonyl)amino]oxolane-3-carboxylic acid
CID 107175661
4-[[cyclobutyl(2-hydroxyethyl)carbamoyl]-methylamino]oxolane-3-carboxylic acid
CID 102865773
4-[cyclobutylcarbamoyl(methyl)amino]oxolane-3-carboxylic acid
CID 66266130

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methoxycyclohexyl)-methylamino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[(3-methoxycyclohexyl)-methylamino]oxolane-3-carboxylic acid (CID 66237410) is 4-[(3-methoxycyclohexyl)-methylamino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[(3-methoxycyclohexyl)-methylamino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[(3-methoxycyclohexyl)-methylamino]oxolane-3-carboxylic acid is COC1CCCC(N(C)C2COCC2C(=O)O)C1.
What is the InChIKey of 4-[(3-methoxycyclohexyl)-methylamino]oxolane-3-carboxylic acid?
The InChIKey is CKFTUIWWSSVNSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO4/c1-14(9-4-3-5-10(6-9)17-2)12-8-18-7-11(12)13(15)16/h9-12H,3-8H2,1-2H3,(H,15,16).
What are the key properties of 4-[(3-methoxycyclohexyl)-methylamino]oxolane-3-carboxylic acid?
4-[(3-methoxycyclohexyl)-methylamino]oxolane-3-carboxylic acid has a molecular weight of 257.33 g/mol, XLogP of 0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methoxycyclohexyl)-methylamino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66237410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).