| CAS Number | 21282-16-6 |
| Catalog Number | AG01BVIF(AGN-PC-0O7U4L) |
| Chemical Name | (2R)-2-{[(2S)-5-oxopyrrolidin-2-yl]formamido}propanoic acid |
| IUPAC Name | 2-[(5-oxopyrrolidine-2-carbonyl)amino]propanoic acid |
| InChI | InChI=1S/C8H12N2O4/c1-4(8(13)14)9-7(12)5-2-3-6(11)10-5/h4-5H,2-3H2,1H3,(H,9,12)(H,10,11)(H,13,14) |
| InChI Key | YIJVJUARZXCJJP-UHFFFAOYSA-N |
| MDL Number | MFCD30476429 |
| Molecular Formula | C8H12N2O4 |
| Molecular Weight | 200.1919 |
| SMILES | C[C@H](C(O)=O)NC([C@H]1NC(=O)CC1)=O |
| Synonyms | (2R)-2-{[(2S)-5-oxopyrrolidin-2-yl]formamido}propanoic acid,
PyroGlu-Ala,
Pyroglutamylalanine,
21282-16-6,
E(Pyro_glu)A,
AC1NM3IY,
AC1Q2BI2,
(2S)-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]propanoic acid,
YIJVJUARZXCJJP-UHFFFAOYSA-N,
AKOS000197589,
AKOS022259798,
2-[(5-oxopyrrolidin-2-yl)formamido]propanoic acid,
2-[(5-oxopyrrolidine-2-carbonyl)amino]propanoic acid,
2-[(5-Oxo-pyrrolidine-2-carbonyl)-amino]-propionic acid,
Amylocyanine,
H-Pyr-Ala-OH,
CID4996385,
21282-08-6,
|
| Complexity | 277 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 200.08g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 200.194g/mol |
| Monoisotopic Mass | 200.08g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 95.5A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number