| CAS Number | 926238-26-8 |
| Catalog Number | AG019MP2(AGN-PC-0WOQD6) |
| Chemical Name | 3-([(2-Methylcyclopropyl)carbonyl]amino)propanoic acid |
| IUPAC Name | 3-[(2-methylcyclopropanecarbonyl)amino]propanoic acid |
| InChI | InChI=1S/C8H13NO3/c1-5-4-6(5)8(12)9-3-2-7(10)11/h5-6H,2-4H2,1H3,(H,9,12)(H,10,11) |
| InChI Key | GWXSMQMPYSITRF-UHFFFAOYSA-N |
| MDL Number | MFCD09049078 |
| Molecular Formula | C8H13NO3 |
| Molecular Weight | 171.1937 |
| SMILES | CC1C(C(NCCC(O)=O)=O)C1 |
| Synonyms | 3-[(2-methylcyclopropyl)formamido]propanoic acid,
926238-26-8,
3-{[(2-methylcyclopropyl)carbonyl]amino}propanoic acid,
AC1Q2QOB,
CTK6B6010,
AKOS000133054,
AKOS017272714,
MCULE-4926198449,
NE55312,
EN300-36851,
Z85914469,
3-([(2-methylcyclopropyl)carbonyl]amino)propanoic acid,
|
| Complexity | 203 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 171.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 171.196g/mol |
| Monoisotopic Mass | 171.09g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 66.4A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number