trisodium;2-(carboxymethylamino)acetic acid;hydride;hydrate

C4H12NNa3O5 — CID 174463163

IUPACtrisodium;2-(carboxymethylamino)acetic acid;hydride;hydrate
SMILESO.O=C(O)CNCC(=O)O.[H-].[H-].[H-].[Na+].[Na+].[Na+]
InChIInChI=1S/C4H7NO4.3Na.H2O.3H/c6-3(7)1-5-2-4(8)9;;;;;;;/h5H,1-2H2,(H,6,7)(H,8,9);;;;1H2;;;/q;3*+1;;3*-1
InChIKeyBOLKCAVDGIELOX-UHFFFAOYSA-N
MW223.11 g/mol
LogP-10.73
Rot. Bonds4

About trisodium;2-(carboxymethylamino)acetic acid;hydride;hydrate

trisodium;2-(carboxymethylamino)acetic acid;hydride;hydrate (PubChem CID 174463163) has the molecular formula C4H12NNa3O5 and a molecular weight of 223.11 g/mol. Its IUPAC name is trisodium;2-(carboxymethylamino)acetic acid;hydride;hydrate.

Molecular Properties

Compound Nametrisodium;2-(carboxymethylamino)acetic acid;hydride;hydrate
PubChem CID174463163
Molecular FormulaC4H12NNa3O5
Molecular Weight223.11 g/mol
Exact Mass223.04
IUPAC Nametrisodium;2-(carboxymethylamino)acetic acid;hydride;hydrate
SMILESO.O=C(O)CNCC(=O)O.[H-].[H-].[H-].[Na+].[Na+].[Na+]
InChIInChI=1S/C4H7NO4.3Na.H2O.3H/c6-3(7)1-5-2-4(8)9;;;;;;;/h5H,1-2H2,(H,6,7)(H,8,9);;;;1H2;;;/q;3*+1;;3*-1
InChIKeyBOLKCAVDGIELOX-UHFFFAOYSA-N
XLogP-10.73
TPSA118.13 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.11
LogP ≤ 5-10.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

sodium;2-(carboxymethylamino)acetic acid;hydride
CID 173003718
2-(carboxymethylamino)acetic acid
CID 8897
2-(carboxymethylamino)acetic acid;cobalt
CID 87306494
tetrasodium;tetrakis(2-(carboxymethylamino)acetate)
CID 141289708
sodium;2-(2-cyanoethylamino)acetic acid;hydride
CID 173295296
2-[(2-amino-2-oxoethyl)amino]acetic acid
CID 87871803
sodium;butanedioic acid;hydride;trihydrate
CID 173259329
sodium 2-(2-hydroxyethylamino)acetic acid
CID 22056559
sodium 2-(3-hydroxypropylamino)acetic acid
CID 21242628
2-[(3-amino-2-oxopropyl)amino]acetic acid;hydrochloride
CID 87629074
sodium;3-(carboxymethylamino)-3-[(carboxymethylamino)methyl]pentanedioic acid;hydride
CID 173228651
sodium;2-(hexadecylamino)acetic acid;hydride
CID 174739572

Frequently Asked Questions

What is the IUPAC name of trisodium;2-(carboxymethylamino)acetic acid;hydride;hydrate?
The IUPAC name of trisodium;2-(carboxymethylamino)acetic acid;hydride;hydrate (CID 174463163) is trisodium;2-(carboxymethylamino)acetic acid;hydride;hydrate.
What is the SMILES notation for trisodium;2-(carboxymethylamino)acetic acid;hydride;hydrate?
The canonical SMILES for trisodium;2-(carboxymethylamino)acetic acid;hydride;hydrate is O.O=C(O)CNCC(=O)O.[H-].[H-].[H-].[Na+].[Na+].[Na+].
What is the InChIKey of trisodium;2-(carboxymethylamino)acetic acid;hydride;hydrate?
The InChIKey is BOLKCAVDGIELOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO4.3Na.H2O.3H/c6-3(7)1-5-2-4(8)9;;;;;;;/h5H,1-2H2,(H,6,7)(H,8,9);;;;1H2;;;/q;3*+1;;3*-1.
What are the key properties of trisodium;2-(carboxymethylamino)acetic acid;hydride;hydrate?
trisodium;2-(carboxymethylamino)acetic acid;hydride;hydrate has a molecular weight of 223.11 g/mol, XLogP of -10.73, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trisodium;2-(carboxymethylamino)acetic acid;hydride;hydrate is sourced from PubChem (CID 174463163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).