Home Other Building Blocks 2-[(3S)-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl]acetic acid

2-[(3S)-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl]acetic acid

CAS No.:
1217715-92-8
Catalog Number:
AG01BFCD
Molecular Formula:
C11H10N2O4
Molecular Weight:
234.2081
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Product Description
Catalog Number:
AG01BFCD
Chemical Name:
2-[(3S)-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl]acetic acid
CAS Number:
1217715-92-8
Molecular Formula:
C11H10N2O4
Molecular Weight:
234.2081
MDL Number:
MFCD10007533
IUPAC Name:
2-[(3S)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]acetic acid
InChI:
InChI=1S/C11H10N2O4/c14-9(15)5-8-11(17)12-7-4-2-1-3-6(7)10(16)13-8/h1-4,8H,5H2,(H,12,17)(H,13,16)(H,14,15)/t8-/m0/s1
InChI Key:
PZADUWCGARVTQN-QMMMGPOBSA-N
SMILES:
OC(=O)C[C@@H]1NC(=O)c2c(NC1=O)cccc2
Properties
Complexity:
355  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
234.064g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
234.211g/mol
Monoisotopic Mass:
234.064g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
95.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3  
Properties