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

C12H21NO3 — CID 66267472

IUPAC4-[methyl-(2-methylcyclopentyl)amino]oxolane-3-carboxylic acid
SMILESCC1CCCC1N(C)C1COCC1C(=O)O
InChIInChI=1S/C12H21NO3/c1-8-4-3-5-10(8)13(2)11-7-16-6-9(11)12(14)15/h8-11H,3-7H2,1-2H3,(H,14,15)
InChIKeyLKXBDYYLTBMOBW-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.21
Rot. Bonds3

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

4-[methyl-(2-methylcyclopentyl)amino]oxolane-3-carboxylic acid (PubChem CID 66267472) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is 4-[methyl-(2-methylcyclopentyl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[methyl-(2-methylcyclopentyl)amino]oxolane-3-carboxylic acid
PubChem CID66267472
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name4-[methyl-(2-methylcyclopentyl)amino]oxolane-3-carboxylic acid
SMILESCC1CCCC1N(C)C1COCC1C(=O)O
InChIInChI=1S/C12H21NO3/c1-8-4-3-5-10(8)13(2)11-7-16-6-9(11)12(14)15/h8-11H,3-7H2,1-2H3,(H,14,15)
InChIKeyLKXBDYYLTBMOBW-UHFFFAOYSA-N
XLogP1.21
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-hydroxycycloheptyl)-methylamino]oxolane-3-carboxylic acid
CID 66238217
4-[methyl-[methyl-(2-methylcyclohexyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 66266721
2-[methyl-(2-methylcyclohexyl)amino]cyclopentane-1-carboxylic acid
CID 63073672
4-[methyl-(2-methylcyclopentanecarbonyl)amino]oxolane-3-carboxylic acid
CID 107175661
4-[(4,4-dimethylcyclohexyl)-methylamino]oxolane-3-carboxylic acid
CID 66267283
4-[di(cyclobutyl)methyl-methylamino]oxolane-3-carboxylic acid
CID 112743509
4-[(2-methylcyclohexyl)-propylamino]oxolane-3-carboxylic acid
CID 66252128
4-[(3-methoxycyclohexyl)-methylamino]oxolane-3-carboxylic acid
CID 66237410
4-[methyl-[3-(2-methylpropyl)cyclohexyl]amino]oxolane-3-carboxylic acid
CID 107430466
4-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]-methylamino]oxolane-3-carboxylic acid
CID 104967966
4-[(1-hydroxycyclopentyl)methyl-methylamino]oxolane-3-carboxylic acid
CID 66237204
4-[cyclobutylcarbamoyl(methyl)amino]oxolane-3-carboxylic acid
CID 66266130

Frequently Asked Questions

What is the IUPAC name of 4-[methyl-(2-methylcyclopentyl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[methyl-(2-methylcyclopentyl)amino]oxolane-3-carboxylic acid (CID 66267472) is 4-[methyl-(2-methylcyclopentyl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[methyl-(2-methylcyclopentyl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[methyl-(2-methylcyclopentyl)amino]oxolane-3-carboxylic acid is CC1CCCC1N(C)C1COCC1C(=O)O.
What is the InChIKey of 4-[methyl-(2-methylcyclopentyl)amino]oxolane-3-carboxylic acid?
The InChIKey is LKXBDYYLTBMOBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-8-4-3-5-10(8)13(2)11-7-16-6-9(11)12(14)15/h8-11H,3-7H2,1-2H3,(H,14,15).
What are the key properties of 4-[methyl-(2-methylcyclopentyl)amino]oxolane-3-carboxylic acid?
4-[methyl-(2-methylcyclopentyl)amino]oxolane-3-carboxylic acid has a molecular weight of 227.30 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-(2-methylcyclopentyl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66267472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).