trisodium;(2S)-2-[bis(carboxymethyl)amino]propanoic acid

C7H11NNa3O6+3 — CID 139596400

IUPACtrisodium;(2S)-2-[bis(carboxymethyl)amino]propanoic acid
SMILESC[C@@H](C(=O)O)N(CC(=O)O)CC(=O)O.[Na+].[Na+].[Na+]
InChIInChI=1S/C7H11NO6.3Na/c1-4(7(13)14)8(2-5(9)10)3-6(11)12;;;/h4H,2-3H2,1H3,(H,9,10)(H,11,12)(H,13,14);;;/q;3*+1/t4-;;;/m0.../s1
InChIKeyOHOTVSOGTVKXEL-WJXVXWFNSA-N
MW274.14 g/mol
LogP-10.06
Rot. Bonds6

About trisodium;(2S)-2-[bis(carboxymethyl)amino]propanoic acid

trisodium;(2S)-2-[bis(carboxymethyl)amino]propanoic acid (PubChem CID 139596400) has the molecular formula C7H11NNa3O6+3 and a molecular weight of 274.14 g/mol. Its IUPAC name is trisodium;(2S)-2-[bis(carboxymethyl)amino]propanoic acid.

Molecular Properties

Compound Nametrisodium;(2S)-2-[bis(carboxymethyl)amino]propanoic acid
PubChem CID139596400
Molecular FormulaC7H11NNa3O6+3
Molecular Weight274.14 g/mol
Exact Mass274.03
IUPAC Nametrisodium;(2S)-2-[bis(carboxymethyl)amino]propanoic acid
SMILESC[C@@H](C(=O)O)N(CC(=O)O)CC(=O)O.[Na+].[Na+].[Na+]
InChIInChI=1S/C7H11NO6.3Na/c1-4(7(13)14)8(2-5(9)10)3-6(11)12;;;/h4H,2-3H2,1H3,(H,9,10)(H,11,12)(H,13,14);;;/q;3*+1/t4-;;;/m0.../s1
InChIKeyOHOTVSOGTVKXEL-WJXVXWFNSA-N
XLogP-10.06
TPSA115.14 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.14
LogP ≤ 5-10.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

Trisodium dicarboxymethyl alaninate
CID 11021984
Disodium nitrilotriacetate monohydrate
CID 21116573
N,N-Dimethylalanine
CID 5488191
2,2'-(Propan-2-ylimino)diacetic acid
CID 219559
N,N-Bis(carboxymethyl)alanine
CID 425415
2,2-Dimethylnitrilotriacetate
CID 3082043
N,N-Dipropyl-L-alanine
CID 14274716
(2R)-2-(dimethylamino)propanoic acid
CID 151045
(2R)-2-(diethylamino)propanoic acid
CID 15115621
2-(Methyl(propan-2-yl)amino)acetic acid hydrochloride
CID 45792018
n-methyliminodiacetic acid disodium salt
CID 88003422
2-Dimethylamino-propionic acid
CID 11788290

Frequently Asked Questions

What is the IUPAC name of trisodium;(2S)-2-[bis(carboxymethyl)amino]propanoic acid?
The IUPAC name of trisodium;(2S)-2-[bis(carboxymethyl)amino]propanoic acid (CID 139596400) is trisodium;(2S)-2-[bis(carboxymethyl)amino]propanoic acid.
What is the SMILES notation for trisodium;(2S)-2-[bis(carboxymethyl)amino]propanoic acid?
The canonical SMILES for trisodium;(2S)-2-[bis(carboxymethyl)amino]propanoic acid is C[C@@H](C(=O)O)N(CC(=O)O)CC(=O)O.[Na+].[Na+].[Na+].
What is the InChIKey of trisodium;(2S)-2-[bis(carboxymethyl)amino]propanoic acid?
The InChIKey is OHOTVSOGTVKXEL-WJXVXWFNSA-N. The full InChI is InChI=1S/C7H11NO6.3Na/c1-4(7(13)14)8(2-5(9)10)3-6(11)12;;;/h4H,2-3H2,1H3,(H,9,10)(H,11,12)(H,13,14);;;/q;3*+1/t4-;;;/m0.../s1.
What are the key properties of trisodium;(2S)-2-[bis(carboxymethyl)amino]propanoic acid?
trisodium;(2S)-2-[bis(carboxymethyl)amino]propanoic acid has a molecular weight of 274.14 g/mol, XLogP of -10.06, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trisodium;(2S)-2-[bis(carboxymethyl)amino]propanoic acid is sourced from PubChem (CID 139596400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).