3-(Diethylcarbamoyl)-1,2,2-trimethylcyclopentane-1-carboxylic acid
Basic information
- CAS
73889-60-8- Standard SMILES
CCN(CC)C(=O)C1CCC(C)(C(=O)O)C1(C)C- InChIKey
FRNYPAJLMPCHQD-UHFFFAOYSA-N- Molecular formula
- C14H25NO3
- Average molar mass
- 255.35 g/mol
- Monoisotopic mass
- 255.18344366
Names & identifiers
- Preferred name
- 3-(Diethylcarbamoyl)-1,2,2-trimethylcyclopentane-1-carboxylic acid
- IUPAC
- 3-(diethylcarbamoyl)-1,2,2-trimethylcyclopentane-1-carboxylic acid
- English name
- 3-(diethylcarbamoyl)-1,2,2-trimethyl-cyclopentane-1-carboxylic acid
- Molecular formula
- C14H25NO3
- Molecular weight
- 255.35
Names & synonyms
73889-60-83-(diethylcarbamoyl)-1,2,2-trimethylcyclopentane-1-carboxylic acidDTXSID40995027RefChem:1067074DTXCID2014220573-Diethylcarbamoyl-1,2,2-trimethyl-cyclopentanecarboxylic acid3-(Diethylcarbamoyl)-1,2,2-trimethylcyclopentanecarboxylic acidMLS0000723233-(N,N-diethylcarbamoyl)-1,2,2-trimethylcyclopentanecarboxylic acidCyclopentanecarboxylic acid, 3-(diethylcarbamoyl)-1,2,2-trimethyl-1,2,2-Trimethyl-3-(diethylaminocarbonyl)-cyclopentanecarboxylic acidCHEMBL1342440
Show more names
3-(Diethylcarbamoyl)-1,2,2-trimethyl-1-cyclopentanecarboxylic acid3-(diethylcarbamoyl)-1,2,2-trimethyl-cyclopentane-1-carboxylic acidCyclopentanecarboxylic acid, 3-[(diethylamino)carbonyl]-1,2,2-trimethyl-
HMS2322D22SBB027885AKOS000301004AKOS016102911Cyclopentanecarboxylicacid, 3-[(diethylamino)carbonyl]-1,2,2-trimethyl-SMR000013096ST50020731SR-01000316340
Database identifiers
- CAS
73889-60-8- PubChem CID
- 652114
- DTXSID
DTXSID40995027- ChEMBL
CHEMBL1342440- Nikkaji
- J77.924E
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 57.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 347
Physicochemical properties
- Boiling point
- 385.6 · 385.6±31.0 °C(Predicted)
- Density
- 1.038 · 1.038±0.06 g/cm3(Predicted)
- pka
- 4.82 · 4.82±0.60(Predicted)
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Related reactions
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Compound notes
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