Home Other Building Blocks 3-[(2,6-DIOXOPIPERIDIN-3-YL)CARBAMOYL]PROPANOIC ACID

3-[(2,6-DIOXOPIPERIDIN-3-YL)CARBAMOYL]PROPANOIC ACID

CAS No.:
1466827-81-5
Catalog Number:
AG01EKCD
Molecular Formula:
C9H12N2O5
Molecular Weight:
228.2020
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Product Description
Catalog Number:
AG01EKCD
Chemical Name:
3-[(2,6-DIOXOPIPERIDIN-3-YL)CARBAMOYL]PROPANOIC ACID
CAS Number:
1466827-81-5
Molecular Formula:
C9H12N2O5
Molecular Weight:
228.2020
MDL Number:
MFCD21649547
IUPAC Name:
4-[(2,6-dioxopiperidin-3-yl)amino]-4-oxobutanoic acid
InChI:
InChI=1S/C9H12N2O5/c12-6(3-4-8(14)15)10-5-1-2-7(13)11-9(5)16/h5H,1-4H2,(H,10,12)(H,14,15)(H,11,13,16)
InChI Key:
AKTWPBONCVUKAV-UHFFFAOYSA-N
SMILES:
O=C(NC1CCC(=O)NC1=O)CCC(=O)O
Properties
Complexity:
339  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.075g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
228.204g/mol
Monoisotopic Mass:
228.075g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.8  
Properties