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206053-39-6 | Propanoic acid, 3-[bis(carboxymethyl)amino]-2-hydroxy-, (2S)-
CAS No: 206053-39-6 Catalog No: AG002AI7 MDL No:
Product Description
Catalog Number:
AG002AI7
Chemical Name:
Propanoic acid, 3-[bis(carboxymethyl)amino]-2-hydroxy-, (2S)-
CAS Number:
206053-39-6
Molecular Formula:
C7H11NO7
Molecular Weight:
221.1647
IUPAC Name:
(2S)-3-[bis(carboxymethyl)amino]-2-hydroxypropanoic acid
InChI:
InChI=1S/C7H11NO7/c9-4(7(14)15)1-8(2-5(10)11)3-6(12)13/h4,9H,1-3H2,(H,10,11)(H,12,13)(H,14,15)/t4-/m0/s1
InChI Key:
ODAKQJVOEZMLOD-BYPYZUCNSA-N
SMILES:
OC(=O)CN(C[C@@H](C(=O)O)O)CC(=O)O
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
221.054g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
221.165g/mol
Monoisotopic Mass:
221.054g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
135A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.9
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