disodium;2-[[(1S)-1-carboxy-2-hydroxyethyl]-(carboxylatomethyl)amino]acetate

C7H9NNa2O7 — CID 159253768

IUPACdisodium;2-[[(1S)-1-carboxy-2-hydroxyethyl]-(carboxylatomethyl)amino]acetate
SMILESO=C([O-])CN(CC(=O)[O-])[C@@H](CO)C(=O)O.[Na+].[Na+]
InChIInChI=1S/C7H11NO7.2Na/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;2*+1/p-2/t4-;;/m0../s1
InChIKeyKVPZWVBHVFPEEG-FHNDMYTFSA-L
MW265.13 g/mol
LogP-10.76
Rot. Bonds7

About disodium;2-[[(1S)-1-carboxy-2-hydroxyethyl]-(carboxylatomethyl)amino]acetate

disodium;2-[[(1S)-1-carboxy-2-hydroxyethyl]-(carboxylatomethyl)amino]acetate (PubChem CID 159253768) has the molecular formula C7H9NNa2O7 and a molecular weight of 265.13 g/mol. Its IUPAC name is disodium;2-[[(1S)-1-carboxy-2-hydroxyethyl]-(carboxylatomethyl)amino]acetate.

Molecular Properties

Compound Namedisodium;2-[[(1S)-1-carboxy-2-hydroxyethyl]-(carboxylatomethyl)amino]acetate
PubChem CID159253768
Molecular FormulaC7H9NNa2O7
Molecular Weight265.13 g/mol
Exact Mass265.02
IUPAC Namedisodium;2-[[(1S)-1-carboxy-2-hydroxyethyl]-(carboxylatomethyl)amino]acetate
SMILESO=C([O-])CN(CC(=O)[O-])[C@@H](CO)C(=O)O.[Na+].[Na+]
InChIInChI=1S/C7H11NO7.2Na/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;2*+1/p-2/t4-;;/m0../s1
InChIKeyKVPZWVBHVFPEEG-FHNDMYTFSA-L
XLogP-10.76
TPSA141.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.13
LogP ≤ 5-10.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

trisodium;(2S)-2-[bis(carboxymethyl)amino]-3-hydroxypropanoic acid
CID 91979731
calcium;disodium;(2S)-2-[bis(carboxylatomethyl)amino]pentanedioate
CID 139816713
disodium;2-[[1-[[2-[carboxylatomethyl(carboxymethyl)amino]-3-hydroxypropyl]-(carboxymethyl)amino]-3-hydroxypropan-2-yl]-(carboxymethyl)amino]acetate
CID 139779911
disodium;2-[carboxylatomethyl(1-hydroxyethyl)amino]acetate
CID 22151994
(2S)-2-(dichloroamino)-3-hydroxypropanoic acid
CID 57128286
2-[bis(2-chloropropyl)amino]-3-hydroxypropanoic acid
CID 22316289
disodium;2-[carboxylatomethyl(hydroxymethyl)amino]acetate
CID 15217912
2-[bis(carboxylatomethyl)amino]-4,4-dimethylpentanoate
CID 176841247
trisodium;2-[bis(carboxylatomethyl)amino]propanoate;hydrate
CID 70699979
2-(dimethylamino)-3-hydroxypropanoic acid;hydrochloride
CID 87309303
2-(dihexylamino)-3-hydroxypropanoic acid
CID 175360727
tetrasodium;2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid;2-[2-[bis(carboxymethyl)amino]ethyl-(2-hydroxyethyl)amino]acetic acid;(2S)-2-[carboxylatomethyl(carboxymethyl)amino]-5-hydroxy-5-oxopentanoate
CID 160843469

Frequently Asked Questions

What is the IUPAC name of disodium;2-[[(1S)-1-carboxy-2-hydroxyethyl]-(carboxylatomethyl)amino]acetate?
The IUPAC name of disodium;2-[[(1S)-1-carboxy-2-hydroxyethyl]-(carboxylatomethyl)amino]acetate (CID 159253768) is disodium;2-[[(1S)-1-carboxy-2-hydroxyethyl]-(carboxylatomethyl)amino]acetate.
What is the SMILES notation for disodium;2-[[(1S)-1-carboxy-2-hydroxyethyl]-(carboxylatomethyl)amino]acetate?
The canonical SMILES for disodium;2-[[(1S)-1-carboxy-2-hydroxyethyl]-(carboxylatomethyl)amino]acetate is O=C([O-])CN(CC(=O)[O-])[C@@H](CO)C(=O)O.[Na+].[Na+].
What is the InChIKey of disodium;2-[[(1S)-1-carboxy-2-hydroxyethyl]-(carboxylatomethyl)amino]acetate?
The InChIKey is KVPZWVBHVFPEEG-FHNDMYTFSA-L. The full InChI is InChI=1S/C7H11NO7.2Na/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;2*+1/p-2/t4-;;/m0../s1.
What are the key properties of disodium;2-[[(1S)-1-carboxy-2-hydroxyethyl]-(carboxylatomethyl)amino]acetate?
disodium;2-[[(1S)-1-carboxy-2-hydroxyethyl]-(carboxylatomethyl)amino]acetate has a molecular weight of 265.13 g/mol, XLogP of -10.76, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;2-[[(1S)-1-carboxy-2-hydroxyethyl]-(carboxylatomethyl)amino]acetate is sourced from PubChem (CID 159253768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).