| CAS Number | 71274-38-9 |
| Catalog Number | AG00FHE1(AGN-PC-0TYS7M) |
| Chemical Name | 3-(3-Benzylureido)propanoic acid |
| IUPAC Name | 3-(benzylcarbamoylamino)propanoic acid |
| InChI | InChI=1S/C11H14N2O3/c14-10(15)6-7-12-11(16)13-8-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,14,15)(H2,12,13,16) |
| InChI Key | ZKXWPAGHEVGPNO-UHFFFAOYSA-N |
| MDL Number | MFCD08444452 |
| Molecular Formula | C11H14N2O3 |
| Molecular Weight | 222.2405 |
| SMILES | OC(CCNC(NCC1=CC=CC=C1)=O)=O |
| Synonyms | 3-(3-benzylureido)propanoic acid,
71274-38-9,
3-{[(benzylamino)carbonyl]amino}propanoic acid,
b-Alanine,N-[[(phenylmethyl)amino]carbonyl]-,
3-[[(Benzylamino)carbonyl]amino]propanoic acid,
AC1Q75NO,
SCHEMBL288999,
CTK5D3796,
DTXSID20585405,
N-(Benzylcarbamoyl)-beta-alanine,
ZKXWPAGHEVGPNO-UHFFFAOYSA-N,
ZINC9738512,
AKOS000200220,
MCULE-8566019003,
3-[(benzylcarbamoyl)amino]propanoic acid,
EN300-25657,
Z217102846,
3-(benzylcarbamoylamino)propanoic acid,
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| Complexity | 237 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 222.1g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 222.244g/mol |
| Monoisotopic Mass | 222.1g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 78.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number