Basic information
- CAS
61865-49-4- Standard SMILES
COC(=O)[C@@H]1C=C[C@H](NC(C)=O)C1- InChIKey
NEJBWENICROWTO-SFYZADRCSA-N- Molecular formula
- C9H13NO3
- Average molar mass
- 183.2 g/mol
- Monoisotopic mass
- 183.08954328
Names & identifiers
- Preferred name
- (1R,4S)-rel-4-(Acetylamino)-2-cyclopentene-1-carboxylic Acid Methyl Ester
- IUPAC
- methyl (1S,4R)-4-acetamidocyclopent-2-ene-1-carboxylate
- English name
- (1R,4S)-rel-4-(AcetylaMino)-2-cyclopentene-1-carboxylic Acid Methyl Ester
- Molecular formula
- C9H13NO3
- Molecular weight
- 183.2
Names & synonyms
61865-49-4methyl (1S,4R)-4-acetamidocyclopent-2-ene-1-carboxylate(1R,4S)-rel-4-(Acetylamino)-2-cyclopentene-1-carboxylic Acid Methyl EsterNSC624590cis-(+/-)-4-(Acetylamino)-2-Cyclopentene-1-carboxylic Acid Methyl Ester;2-Cyclopentene-1-carboxylic acid, 4-(acetylamino)-, methyl ester, cis-Methyl(+-)-cis-4-Acetamidocyclopent-2-enecarboxylateCHEMBL2003516SCHEMBL10357493DTXSID30326967NEJBWENICROWTO-SFYZADRCSA-NAKOS030242728
Show more names
cis-(+/-)-4-(AcetylaMino)-2-Cyclopentene-1-carboxylic Acid Methyl Ester2-Cyclopentene-1-carboxylic acid, 4-(acetylamino)-, methyl ester, (1R,4S)-rel-
NSC-624590NCI60_007458methyl-cis-4-acetamidocyclopent-2-ene carboxylatemethyl (+)-cis-4-acetamidocyclopent-2-ene carboxylatemethyl(+)-cis-4-acetamidocyclopent-2-ene carboxylatemethyl (+/-)-cis-4-acetamidocyclopent-2-ene carboxylate(+/-)-cis-Methyl 4-acetamido-2-cyclopentene 1-carboxylate
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 247
Physicochemical properties
- Melting point
- 59 · 59-60 °C
- Boiling point
- 337.85 · 337.850±42.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.133 · 1.133±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- solubility
- Chloroform, Dichloromethane, DMSO, Methanol
- form
- Solid
- pka
- 15.319 · 15.319±0.40(predicted)
- color
- Off-White
Chemistry & industry
Applications
UsesCarbovir intermediate.
Suppliers7 total
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
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凯试（上海）科技有限公司021-50135380 · [email protected]
艾吉析科技（上海）有限公司17721401538;17717235263 17721401538 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
南京汉海征程医药科技有限公司15850673134 · [email protected]
Related reactions
5 records
Compound notes
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