| CAS Number | 10009-97-9 |
| Catalog Number | AG00H95K(AGN-PC-0OPEDA) |
| Chemical Name | (S)-2-Amino-5-(1,3-dioxoisoindolin-2-yl)pentanoic acid hydrochloride |
| IUPAC Name | (2S)-2-amino-5-(1,3-dioxoisoindol-2-yl)pentanoic acid;hydrochloride |
| InChI | InChI=1S/C13H14N2O4.ClH/c14-10(13(18)19)6-3-7-15-11(16)8-4-1-2-5-9(8)12(15)17;/h1-2,4-5,10H,3,6-7,14H2,(H,18,19);1H/t10-;/m0./s1 |
| InChI Key | HZEGWKUKCVDASL-PPHPATTJSA-N |
| MDL Number | MFCD00190989 |
| Molecular Formula | C13H15ClN2O4 |
| Molecular Weight | 298.7222 |
| SMILES | Cl.N[C@H](C(=O)O)CCCN1C(C2=CC=CC=C2C1=O)=O |
| Synonyms | 10009-97-9,
H-Orn(pht)-oh hcl,
H-Orn(pht)-OH hydrochloride,
SCHEMBL9394212,
(S)-2-Amino-5-(1,3-dioxoisoindolin-2-yl)pentanoic acid hydrochloride,
MFCD00190989,
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| Complexity | 372 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 298.072g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 298.723g/mol |
| Monoisotopic Mass | 298.072g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 101A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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