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108879-65-8 molecular structure
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1,2,2-trimethyl-3-(methylcarbamoyl)cyclopentane-1-carboxylic acid

ChemBase ID: 312193
Molecular Formular: C11H19NO3
Molecular Mass: 213.27346
Monoisotopic Mass: 213.13649347
SMILES and InChIs

SMILES:
C1(C(C(C(=O)NC)CC1)(C)C)(C(=O)O)C
Canonical SMILES:
CNC(=O)C1CCC(C1(C)C)(C)C(=O)O
InChI:
InChI=1S/C11H19NO3/c1-10(2)7(8(13)12-4)5-6-11(10,3)9(14)15/h7H,5-6H2,1-4H3,(H,12,13)(H,14,15)
InChIKey:
OLOKREPGYJVILA-UHFFFAOYSA-N

Cite this record

CBID:312193 http://www.chembase.cn/molecule-312193.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1,2,2-trimethyl-3-(methylcarbamoyl)cyclopentane-1-carboxylic acid
IUPAC Traditional name
1,2,2-trimethyl-3-(methylcarbamoyl)cyclopentane-1-carboxylic acid
Synonyms
1,2,2-trimethyl-3-[(methylamino)carbonyl]cyclopentanecarboxylic acid
CAS Number
108879-65-8
MDL Number
MFCD06308277

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.27895364  LogD (pH = 7.4) -1.4970746 
Log P 1.2281463  Molar Refractivity 55.7284 cm3
Polarizability 22.019754 Å3 Polar Surface Area 66.4 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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