N,N-bis(carboxymethyl)-L-Glutamic acid sodium salt(1:x)

C9H13NNaO8 — CID 87137604

IUPAC—
SMILESO=C(O)CC[C@@H](C(=O)O)N(CC(=O)O)CC(=O)O.[Na]
InChIInChI=1S/C9H13NO8.Na/c11-6(12)2-1-5(9(17)18)10(3-7(13)14)4-8(15)16;/h5H,1-4H2,(H,11,12)(H,13,14)(H,15,16)(H,17,18);/t5-;/m0./s1
InChIKeyBWJZOKPGTZADMS-JEDNCBNOSA-N
MW286.19 g/mol
LogP-1.61
Rot. Bonds9

About N,N-bis(carboxymethyl)-L-Glutamic acid sodium salt(1:x)

N,N-bis(carboxymethyl)-L-Glutamic acid sodium salt(1:x) (PubChem CID 87137604) has the molecular formula C9H13NNaO8 and a molecular weight of 286.19 g/mol.

Molecular Properties

Compound NameN,N-bis(carboxymethyl)-L-Glutamic acid sodium salt(1:x)
PubChem CID87137604
Molecular FormulaC9H13NNaO8
Molecular Weight286.19 g/mol
Exact Mass286.05
IUPAC Name—
SMILESO=C(O)CC[C@@H](C(=O)O)N(CC(=O)O)CC(=O)O.[Na]
InChIInChI=1S/C9H13NO8.Na/c11-6(12)2-1-5(9(17)18)10(3-7(13)14)4-8(15)16;/h5H,1-4H2,(H,11,12)(H,13,14)(H,15,16)(H,17,18);/t5-;/m0./s1
InChIKeyBWJZOKPGTZADMS-JEDNCBNOSA-N
XLogP-1.61
TPSA152.44 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.19
LogP ≤ 5-1.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(carboxymethyl)-L-Glutamic acid sodium salt(1:x)?
The IUPAC name of N,N-bis(carboxymethyl)-L-Glutamic acid sodium salt(1:x) (CID 87137604) is not available.
What is the SMILES notation for N,N-bis(carboxymethyl)-L-Glutamic acid sodium salt(1:x)?
The canonical SMILES for N,N-bis(carboxymethyl)-L-Glutamic acid sodium salt(1:x) is O=C(O)CC[C@@H](C(=O)O)N(CC(=O)O)CC(=O)O.[Na].
What is the InChIKey of N,N-bis(carboxymethyl)-L-Glutamic acid sodium salt(1:x)?
The InChIKey is BWJZOKPGTZADMS-JEDNCBNOSA-N. The full InChI is InChI=1S/C9H13NO8.Na/c11-6(12)2-1-5(9(17)18)10(3-7(13)14)4-8(15)16;/h5H,1-4H2,(H,11,12)(H,13,14)(H,15,16)(H,17,18);/t5-;/m0./s1.
What are the key properties of N,N-bis(carboxymethyl)-L-Glutamic acid sodium salt(1:x)?
N,N-bis(carboxymethyl)-L-Glutamic acid sodium salt(1:x) has a molecular weight of 286.19 g/mol, XLogP of -1.61, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(carboxymethyl)-L-Glutamic acid sodium salt(1:x) is sourced from PubChem (CID 87137604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).