trisodium;(2S)-2-[bis(carboxymethyl)amino]-3-hydroxypropanoic acid

C7H11NNa3O7+3 — CID 91979731

IUPACtrisodium;(2S)-2-[bis(carboxymethyl)amino]-3-hydroxypropanoic acid
SMILESO=C(O)CN(CC(=O)O)[C@@H](CO)C(=O)O.[Na+].[Na+].[Na+]
InChIInChI=1S/C7H11NO7.3Na/c9-3-4(7(14)15)8(1-5(10)11)2-6(12)13;;;/h4,9H,1-3H2,(H,10,11)(H,12,13)(H,14,15);;;/q;3*+1/t4-;;;/m0.../s1
InChIKeyOVXKVGHEOJHEJN-WJXVXWFNSA-N
MW290.13 g/mol
LogP-11.08
Rot. Bonds7

About trisodium;(2S)-2-[bis(carboxymethyl)amino]-3-hydroxypropanoic acid

trisodium;(2S)-2-[bis(carboxymethyl)amino]-3-hydroxypropanoic acid (PubChem CID 91979731) has the molecular formula C7H11NNa3O7+3 and a molecular weight of 290.13 g/mol. Its IUPAC name is trisodium;(2S)-2-[bis(carboxymethyl)amino]-3-hydroxypropanoic acid.

Molecular Properties

Compound Nametrisodium;(2S)-2-[bis(carboxymethyl)amino]-3-hydroxypropanoic acid
PubChem CID91979731
Molecular FormulaC7H11NNa3O7+3
Molecular Weight290.13 g/mol
Exact Mass290.02
IUPAC Nametrisodium;(2S)-2-[bis(carboxymethyl)amino]-3-hydroxypropanoic acid
SMILESO=C(O)CN(CC(=O)O)[C@@H](CO)C(=O)O.[Na+].[Na+].[Na+]
InChIInChI=1S/C7H11NO7.3Na/c9-3-4(7(14)15)8(1-5(10)11)2-6(12)13;;;/h4,9H,1-3H2,(H,10,11)(H,12,13)(H,14,15);;;/q;3*+1/t4-;;;/m0.../s1
InChIKeyOVXKVGHEOJHEJN-WJXVXWFNSA-N
XLogP-11.08
TPSA135.37 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.13
LogP ≤ 5-11.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

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(2S)-2-[1-carboxyethyl(carboxymethyl)amino]-3-hydroxypropanoic acid
CID 139761783
2-[bis(carboxymethyl)amino]-5-hydroperoxypentanoic acid
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(2S)-2-(dichloroamino)-3-hydroxypropanoic acid
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2-[bis(2-chloropropyl)amino]-3-hydroxypropanoic acid
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CID 176827256
2-(dimethylamino)-3-hydroxypropanoic acid;hydrochloride
CID 87309303

Frequently Asked Questions

What is the IUPAC name of trisodium;(2S)-2-[bis(carboxymethyl)amino]-3-hydroxypropanoic acid?
The IUPAC name of trisodium;(2S)-2-[bis(carboxymethyl)amino]-3-hydroxypropanoic acid (CID 91979731) is trisodium;(2S)-2-[bis(carboxymethyl)amino]-3-hydroxypropanoic acid.
What is the SMILES notation for trisodium;(2S)-2-[bis(carboxymethyl)amino]-3-hydroxypropanoic acid?
The canonical SMILES for trisodium;(2S)-2-[bis(carboxymethyl)amino]-3-hydroxypropanoic acid is O=C(O)CN(CC(=O)O)[C@@H](CO)C(=O)O.[Na+].[Na+].[Na+].
What is the InChIKey of trisodium;(2S)-2-[bis(carboxymethyl)amino]-3-hydroxypropanoic acid?
The InChIKey is OVXKVGHEOJHEJN-WJXVXWFNSA-N. The full InChI is InChI=1S/C7H11NO7.3Na/c9-3-4(7(14)15)8(1-5(10)11)2-6(12)13;;;/h4,9H,1-3H2,(H,10,11)(H,12,13)(H,14,15);;;/q;3*+1/t4-;;;/m0.../s1.
What are the key properties of trisodium;(2S)-2-[bis(carboxymethyl)amino]-3-hydroxypropanoic acid?
trisodium;(2S)-2-[bis(carboxymethyl)amino]-3-hydroxypropanoic acid has a molecular weight of 290.13 g/mol, XLogP of -11.08, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trisodium;(2S)-2-[bis(carboxymethyl)amino]-3-hydroxypropanoic acid is sourced from PubChem (CID 91979731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).