Home Aminos (2S)-2-amino-3-(2-oxo-2,3-dihydro-1,3-benzoxazol-5-yl)propanoic acid hydrochloride

(2S)-2-amino-3-(2-oxo-2,3-dihydro-1,3-benzoxazol-5-yl)propanoic acid hydrochloride

CAS No.:
2137143-79-2
Catalog Number:
AG01ELNJ
Molecular Formula:
C10H11ClN2O4
Molecular Weight:
258.6583
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Product Description
Catalog Number:
AG01ELNJ
Chemical Name:
(2S)-2-amino-3-(2-oxo-2,3-dihydro-1,3-benzoxazol-5-yl)propanoic acid hydrochloride
CAS Number:
2137143-79-2
Molecular Formula:
C10H11ClN2O4
Molecular Weight:
258.6583
MDL Number:
MFCD31559221
IUPAC Name:
(2S)-2-amino-3-(2-oxo-3H-1,3-benzoxazol-5-yl)propanoic acid;hydrochloride
InChI:
InChI=1S/C10H10N2O4.ClH/c11-6(9(13)14)3-5-1-2-8-7(4-5)12-10(15)16-8;/h1-2,4,6H,3,11H2,(H,12,15)(H,13,14);1H/t6-;/m0./s1
InChI Key:
PBDJGWUEUUVMGK-RGMNGODLSA-N
SMILES:
OC(=O)[C@H](Cc1ccc2c(c1)[nH]c(=O)o2)N.Cl
Properties
Complexity:
307  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
258.041g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
258.658g/mol
Monoisotopic Mass:
258.041g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties