Basic information
- CAS
108879-65-8- Standard SMILES
CNC(=O)C1CCC(C)(C(=O)O)C1(C)C- InChIKey
OLOKREPGYJVILA-UHFFFAOYSA-N- Molecular formula
- C11H19NO3
- Average molar mass
- 213.27 g/mol
- Monoisotopic mass
- 213.13649347
Names & identifiers
- Preferred name
- 1,2,2-Trimethyl-3-[(methylamino)carbonyl]cyclopentanecarboxylic acid
- IUPAC
- 1,2,2-trimethyl-3-(methylcarbamoyl)cyclopentane-1-carboxylic acid
- English name
- CHEMBRDG-BB 9024986
- Molecular formula
- C11H19NO3
- Molecular weight
- 213.27
Names & synonyms
108879-65-81,2,2-TRIMETHYL-3-[(METHYLAMINO)CARBONYL]CYCLOPENTANECARBOXYLIC ACID1,2,2-trimethyl-3-(methylcarbamoyl)cyclopentane-1-carboxylic Acid1,2,2-Trimethyl-3-(methylcarbamoyl)cyclopentanecarboxylic acidF2124-0277DTXSID80414686SMSSF-0613610(1S,3R)-1,2,2-trimethyl-3-(methylcarbamoyl)cyclopentanecarboxylic acidAKOS000319967DB-1906841,2,2-Trimethyl-3-(methylcarbamoyl)cyclopentanecarboxylicacid1,2,2-trimethyl-3-(N-methylcarbamoyl)cyclopentanecarboxylic acid
Show more names
AKOS A0601-0053IFLAB-BB F2124-0277CHEMBRDG-BB 90249861,2,2-TRIMETHYL-3-((METHYLAMINO)CARBONYL)CYCLOPENTANECARBOXYLIC ACIDCyclopentanecarboxylic acid, 1,2,2-trimethyl-3-[(methylamino)carbonyl]-1,2,2-trimethyl-3-[(methylamino)carbonyl]cyclopentanecarboxylic acid(SALTDATA: FREE)
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 298
Physicochemical properties
- Boiling point
- 395.6 · 395.6±31.0 °C(Predicted)
- Density
- 1.077 · 1.077±0.06 g/cm3(Predicted)
- pka
- 4.71 · 4.71±0.60(Predicted)
Chemistry & industry
Suppliers2 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
1 records
Compound notes
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