Cas no 495-95-4 (2-(1-Methyl-5-oxopyrrolidin-2-yl)acetic acid)
495-95-4 structure
Product Name:2-(1-Methyl-5-oxopyrrolidin-2-yl)acetic acid
CAS No:495-95-4
MF:C7H11NO3
MW:157.167142152786
CID:2665964
Update Time:2023-08-06
2-(1-Methyl-5-oxopyrrolidin-2-yl)acetic acid Chemical and Physical Properties
Names and Identifiers
-
- (-)-1-Methyl-5-oxo-2-pyrrolidineacetic acid
- Ergoninic acid
- 2-(1-methyl-5-oxopyrrolidin-2-yl)acetic acid
- (1-methyl-5-oxopyrrolidin-2-yl)acetic acid
- Ecgonic acid
- l-Ecgonic acid
- d-Ecgonic acid
- (1)-1-Methyl-5-oxopyrrolidine-2-acetic acid
- SBB018915
- 2-Pyrrolidineacetic acid, 1-methyl-5-oxo-
- (+/-)-1-methyl-5-oxopyrrolidine-2-acetic acid
- Q27291422
- Z2284393895
- 2-(1-Methyl-5-oxopyrrolidin-2-yl)acetic acid
-
- Inchi： 1S/C7H11NO3/c1-8-5(4-7(10)11)2-3-6(8)9/h5H,2-4H2,1H3,(H,10,11)
- InChI Key： QSTXMZUAMCBUQU-UHFFFAOYSA-N
- SMILES： O=C1CCC(CC(=O)O)N1C
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 190
- XLogP3: -0.6
- Topological Polar Surface Area: 57.6
2-(1-Methyl-5-oxopyrrolidin-2-yl)acetic acid Related Literature
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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4. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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