Cas no 2446-00-6 (Glutamic acid,3-(1-methylethyl)-)
2446-00-6 structure
Product Name:Glutamic acid,3-(1-methylethyl)-
CAS No:2446-00-6
MF:C8H15NO4
MW:189.209002733231
CID:275419
PubChem ID:255940
Update Time:2025-04-19
Glutamic acid,3-(1-methylethyl)- Chemical and Physical Properties
Names and Identifiers
-
- Glutamic acid,3-(1-methylethyl)-
- (2S)-2-amino-3-propan-2-ylpentanedioic acid
- 3-Cyclopentene-1-acetaldehyde, 3-(1-methylethyl)-
- 3-Isopropylcyclopent-3-en-1-acetaldehyd
- 3-Isopropyl-glutaminsaeure
- CTK2E0817
- NSC82074
- NSC-82074
- NCIOpen2_000800
- DTXSID00947325
- 2446-00-6
- 3-propan-2-ylglutamic acid
-
- Inchi： 1S/C8H15NO4/c1-4(2)5(3-6(10)11)7(9)8(12)13/h4-5,7H,3,9H2,1-2H3,(H,10,11)(H,12,13)
- InChI Key： MOPYLICRFHPQOR-UHFFFAOYSA-N
- SMILES： OC(C(C(CC(=O)O)C(C)C)N)=O
Computed Properties
- Exact Mass: 189.10015
- Monoisotopic Mass: 189.1
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 13
- Rotatable Bond Count: 5
- Complexity: 202
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -2.3
- Topological Polar Surface Area: 101?2
Experimental Properties
- Density: 1.223
- Boiling Point: 341.3°Cat760mmHg
- Flash Point: 160.2°C
- Refractive Index: 1.502
- PSA: 100.62
- LogP: 0.84550
Glutamic acid,3-(1-methylethyl)- Related Literature
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
-
Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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