tetrapotassium;(2S)-2-[bis(carboxylatomethyl)amino]butanedioate

C8H7K4NO8 — CID 139702524

IUPACtetrapotassium;(2S)-2-[bis(carboxylatomethyl)amino]butanedioate
SMILESO=C([O-])C[C@@H](C(=O)[O-])N(CC(=O)[O-])CC(=O)[O-].[K+].[K+].[K+].[K+]
InChIInChI=1S/C8H11NO8.4K/c10-5(11)1-4(8(16)17)9(2-6(12)13)3-7(14)15;;;;/h4H,1-3H2,(H,10,11)(H,12,13)(H,14,15)(H,16,17);;;;/q;4*+1/p-4/t4-;;;;/m0..../s1
InChIKeyPAFCQYJITMAMMN-NDNWHDOQSA-J
MW401.54 g/mol
LogP-18.94
Rot. Bonds8

About tetrapotassium;(2S)-2-[bis(carboxylatomethyl)amino]butanedioate

tetrapotassium;(2S)-2-[bis(carboxylatomethyl)amino]butanedioate (PubChem CID 139702524) has the molecular formula C8H7K4NO8 and a molecular weight of 401.54 g/mol. Its IUPAC name is tetrapotassium;(2S)-2-[bis(carboxylatomethyl)amino]butanedioate.

Molecular Properties

Compound Nametetrapotassium;(2S)-2-[bis(carboxylatomethyl)amino]butanedioate
PubChem CID139702524
Molecular FormulaC8H7K4NO8
Molecular Weight401.54 g/mol
Exact Mass400.87
IUPAC Nametetrapotassium;(2S)-2-[bis(carboxylatomethyl)amino]butanedioate
SMILESO=C([O-])C[C@@H](C(=O)[O-])N(CC(=O)[O-])CC(=O)[O-].[K+].[K+].[K+].[K+]
InChIInChI=1S/C8H11NO8.4K/c10-5(11)1-4(8(16)17)9(2-6(12)13)3-7(14)15;;;;/h4H,1-3H2,(H,10,11)(H,12,13)(H,14,15)(H,16,17);;;;/q;4*+1/p-4/t4-;;;;/m0..../s1
InChIKeyPAFCQYJITMAMMN-NDNWHDOQSA-J
XLogP-18.94
TPSA163.76 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.54
LogP ≤ 5-18.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of tetrapotassium;(2S)-2-[bis(carboxylatomethyl)amino]butanedioate?
The IUPAC name of tetrapotassium;(2S)-2-[bis(carboxylatomethyl)amino]butanedioate (CID 139702524) is tetrapotassium;(2S)-2-[bis(carboxylatomethyl)amino]butanedioate.
What is the SMILES notation for tetrapotassium;(2S)-2-[bis(carboxylatomethyl)amino]butanedioate?
The canonical SMILES for tetrapotassium;(2S)-2-[bis(carboxylatomethyl)amino]butanedioate is O=C([O-])C[C@@H](C(=O)[O-])N(CC(=O)[O-])CC(=O)[O-].[K+].[K+].[K+].[K+].
What is the InChIKey of tetrapotassium;(2S)-2-[bis(carboxylatomethyl)amino]butanedioate?
The InChIKey is PAFCQYJITMAMMN-NDNWHDOQSA-J. The full InChI is InChI=1S/C8H11NO8.4K/c10-5(11)1-4(8(16)17)9(2-6(12)13)3-7(14)15;;;;/h4H,1-3H2,(H,10,11)(H,12,13)(H,14,15)(H,16,17);;;;/q;4*+1/p-4/t4-;;;;/m0..../s1.
What are the key properties of tetrapotassium;(2S)-2-[bis(carboxylatomethyl)amino]butanedioate?
tetrapotassium;(2S)-2-[bis(carboxylatomethyl)amino]butanedioate has a molecular weight of 401.54 g/mol, XLogP of -18.94, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tetrapotassium;(2S)-2-[bis(carboxylatomethyl)amino]butanedioate is sourced from PubChem (CID 139702524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).