4-[methyl-[3-(2-methylpropyl)cyclohexyl]amino]oxolane-3-carboxylic acid

C16H29NO3 — CID 107430466

IUPAC4-[methyl-[3-(2-methylpropyl)cyclohexyl]amino]oxolane-3-carboxylic acid
SMILESCC(C)CC1CCCC(N(C)C2COCC2C(=O)O)C1
InChIInChI=1S/C16H29NO3/c1-11(2)7-12-5-4-6-13(8-12)17(3)15-10-20-9-14(15)16(18)19/h11-15H,4-10H2,1-3H3,(H,18,19)
InChIKeyUUJGYNFUQROVAI-UHFFFAOYSA-N
MW283.41 g/mol
LogP2.62
Rot. Bonds5

About 4-[methyl-[3-(2-methylpropyl)cyclohexyl]amino]oxolane-3-carboxylic acid

4-[methyl-[3-(2-methylpropyl)cyclohexyl]amino]oxolane-3-carboxylic acid (PubChem CID 107430466) has the molecular formula C16H29NO3 and a molecular weight of 283.41 g/mol. Its IUPAC name is 4-[methyl-[3-(2-methylpropyl)cyclohexyl]amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[methyl-[3-(2-methylpropyl)cyclohexyl]amino]oxolane-3-carboxylic acid
PubChem CID107430466
Molecular FormulaC16H29NO3
Molecular Weight283.41 g/mol
Exact Mass283.21
IUPAC Name4-[methyl-[3-(2-methylpropyl)cyclohexyl]amino]oxolane-3-carboxylic acid
SMILESCC(C)CC1CCCC(N(C)C2COCC2C(=O)O)C1
InChIInChI=1S/C16H29NO3/c1-11(2)7-12-5-4-6-13(8-12)17(3)15-10-20-9-14(15)16(18)19/h11-15H,4-10H2,1-3H3,(H,18,19)
InChIKeyUUJGYNFUQROVAI-UHFFFAOYSA-N
XLogP2.62
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 ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3-methoxycyclohexyl)-methylamino]oxolane-3-carboxylic acid
CID 66237410
4-[methyl-(2-propan-2-yloxan-4-yl)amino]oxolane-3-carboxylic acid
CID 66267670
4-[methyl-(2-methylcyclopentyl)amino]oxolane-3-carboxylic acid
CID 66267472
4-[(4,4-dimethylcyclohexyl)-methylamino]oxolane-3-carboxylic acid
CID 66267283
4-[di(cyclobutyl)methyl-methylamino]oxolane-3-carboxylic acid
CID 112743509
4-[(2-hydroxycycloheptyl)-methylamino]oxolane-3-carboxylic acid
CID 66238217
4-[methyl-[(4-methylcyclohexyl)methyl]amino]oxolane-3-carboxylic acid
CID 66266491
4-(2-methylpropyl)oxolane-3-carboxylic acid
CID 84766287
4-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]-methylamino]oxolane-3-carboxylic acid
CID 104967966
4-[[cyclobutyl(2-hydroxyethyl)carbamoyl]-methylamino]oxolane-3-carboxylic acid
CID 102865773
4-[methyl(3-methylbutan-2-yl)amino]oxolane-3-carboxylic acid
CID 66267091
4-[methyl-[2-(propan-2-ylamino)acetyl]amino]oxolane-3-carboxylic acid
CID 66237430

Frequently Asked Questions

What is the IUPAC name of 4-[methyl-[3-(2-methylpropyl)cyclohexyl]amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[methyl-[3-(2-methylpropyl)cyclohexyl]amino]oxolane-3-carboxylic acid (CID 107430466) is 4-[methyl-[3-(2-methylpropyl)cyclohexyl]amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[methyl-[3-(2-methylpropyl)cyclohexyl]amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[methyl-[3-(2-methylpropyl)cyclohexyl]amino]oxolane-3-carboxylic acid is CC(C)CC1CCCC(N(C)C2COCC2C(=O)O)C1.
What is the InChIKey of 4-[methyl-[3-(2-methylpropyl)cyclohexyl]amino]oxolane-3-carboxylic acid?
The InChIKey is UUJGYNFUQROVAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO3/c1-11(2)7-12-5-4-6-13(8-12)17(3)15-10-20-9-14(15)16(18)19/h11-15H,4-10H2,1-3H3,(H,18,19).
What are the key properties of 4-[methyl-[3-(2-methylpropyl)cyclohexyl]amino]oxolane-3-carboxylic acid?
4-[methyl-[3-(2-methylpropyl)cyclohexyl]amino]oxolane-3-carboxylic acid has a molecular weight of 283.41 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-[3-(2-methylpropyl)cyclohexyl]amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 107430466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).