Cas no 176036-37-6 (5-(Carboxymethyl)proline)
5-(Carboxymethyl)proline structure
Product Name:5-(Carboxymethyl)proline
CAS No:176036-37-6
MF:C7H11NO4
MW:173.166542291641
CID:112225
PubChem ID:23644382
Update Time:2024-02-28
5-(Carboxymethyl)proline Chemical and Physical Properties
Names and Identifiers
-
- 2-Pyrrolidineaceticacid, 5-carboxy-
- 5-(carboxymethyl)pyrrolidine-2-carboxylic acid
- 2-Pyrrolidineaceticacid,5-carboxy-(9CI)
- 5-(Carboxymethyl)proline
-
- Inchi： 1S/C7H11NO4/c9-6(10)3-4-1-2-5(8-4)7(11)12/h4-5,8H,1-3H2,(H,9,10)(H,11,12)
- InChI Key： LIZWYFXJOOUDNV-UHFFFAOYSA-N
- SMILES： OC(C1CCC(CC(=O)O)N1)=O
Computed Properties
- Exact Mass: 173.06880783g/mol
- Monoisotopic Mass: 173.06880783g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 12
- Rotatable Bond Count: 3
- Complexity: 204
- 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: -2.8
- Topological Polar Surface Area: 86.6
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