Home Aminos 3-[(2-aminoethyl)amino]-3-carbamoylpropanoic acid

3-[(2-aminoethyl)amino]-3-carbamoylpropanoic acid

CAS No.:
785730-69-0
Catalog Number:
AG01AA36
Molecular Formula:
C6H13N3O3
Molecular Weight:
175.1857
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Product Description
Catalog Number:
AG01AA36
Chemical Name:
3-[(2-aminoethyl)amino]-3-carbamoylpropanoic acid
CAS Number:
785730-69-0
Molecular Formula:
C6H13N3O3
Molecular Weight:
175.1857
IUPAC Name:
4-amino-3-(2-aminoethylamino)-4-oxobutanoic acid
InChI:
InChI=1S/C6H13N3O3/c7-1-2-9-4(6(8)12)3-5(10)11/h4,9H,1-3,7H2,(H2,8,12)(H,10,11)
InChI Key:
DLNTVPOQWOVDCF-UHFFFAOYSA-N
SMILES:
NCCNC(C(=O)N)CC(=O)O
Properties
Complexity:
171  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.096g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
175.188g/mol
Monoisotopic Mass:
175.096g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-4.9  
Properties