2-[bis(carboxymethyl)amino]acetic acid;(2-hydroxy-1-phosphonoethyl)phosphonic acid

C8H17NO13P2 — CID 175054522

IUPAC2-[bis(carboxymethyl)amino]acetic acid;(2-hydroxy-1-phosphonoethyl)phosphonic acid
SMILESO=C(O)CN(CC(=O)O)CC(=O)O.O=P(O)(O)C(CO)P(=O)(O)O
InChIInChI=1S/C6H9NO6.C2H8O7P2/c8-4(9)1-7(2-5(10)11)3-6(12)13;3-1-2(10(4,5)6)11(7,8)9/h1-3H2,(H,8,9)(H,10,11)(H,12,13);2-3H,1H2,(H2,4,5,6)(H2,7,8,9)
InChIKeyWNOCLLSUXDARPZ-UHFFFAOYSA-N
MW397.17 g/mol
LogP-2.80
Rot. Bonds9

About 2-[bis(carboxymethyl)amino]acetic acid;(2-hydroxy-1-phosphonoethyl)phosphonic acid

2-[bis(carboxymethyl)amino]acetic acid;(2-hydroxy-1-phosphonoethyl)phosphonic acid (PubChem CID 175054522) has the molecular formula C8H17NO13P2 and a molecular weight of 397.17 g/mol. Its IUPAC name is 2-[bis(carboxymethyl)amino]acetic acid;(2-hydroxy-1-phosphonoethyl)phosphonic acid.

Molecular Properties

Compound Name2-[bis(carboxymethyl)amino]acetic acid;(2-hydroxy-1-phosphonoethyl)phosphonic acid
PubChem CID175054522
Molecular FormulaC8H17NO13P2
Molecular Weight397.17 g/mol
Exact Mass397.02
IUPAC Name2-[bis(carboxymethyl)amino]acetic acid;(2-hydroxy-1-phosphonoethyl)phosphonic acid
SMILESO=C(O)CN(CC(=O)O)CC(=O)O.O=P(O)(O)C(CO)P(=O)(O)O
InChIInChI=1S/C6H9NO6.C2H8O7P2/c8-4(9)1-7(2-5(10)11)3-6(12)13;3-1-2(10(4,5)6)11(7,8)9/h1-3H2,(H,8,9)(H,10,11)(H,12,13);2-3H,1H2,(H2,4,5,6)(H2,7,8,9)
InChIKeyWNOCLLSUXDARPZ-UHFFFAOYSA-N
XLogP-2.80
TPSA250.43 Ų
H-Bond Donors8
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.17
LogP ≤ 5-2.80
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

CID 175948517
CID 175948517
2-[bis(carboxymethyl)amino]acetic acid
CID 22440005
2-[bis(carboxymethyl)amino]acetic acid;cerium
CID 88686592
CID 160559897
CID 160559897
CID 23617736
CID 23617736
bis(2-[bis(carboxymethyl)amino]acetic acid);sulfane
CID 87731380
2-[carboxymethyl(phosphonomethyl)amino]acetic acid;iron(2+)
CID 85470348
azanium;2-[bis(carboxymethyl)amino]acetic acid;manganese
CID 71301305
2-[bis(carboxymethyl)amino]acetic acid;N,N-dimethylmethanamine
CID 88838366
azane;2-[bis(hydroxymethyl)amino]acetic acid
CID 87594237
2-[bis(carboxymethyl)amino]acetate;2-[carboxylatomethyl(carboxymethyl)amino]acetate;gadolinium(2+);hydrate
CID 6394562
disodium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;hydride;propane-1,2,3-triol
CID 173081220

Frequently Asked Questions

What is the IUPAC name of 2-[bis(carboxymethyl)amino]acetic acid;(2-hydroxy-1-phosphonoethyl)phosphonic acid?
The IUPAC name of 2-[bis(carboxymethyl)amino]acetic acid;(2-hydroxy-1-phosphonoethyl)phosphonic acid (CID 175054522) is 2-[bis(carboxymethyl)amino]acetic acid;(2-hydroxy-1-phosphonoethyl)phosphonic acid.
What is the SMILES notation for 2-[bis(carboxymethyl)amino]acetic acid;(2-hydroxy-1-phosphonoethyl)phosphonic acid?
The canonical SMILES for 2-[bis(carboxymethyl)amino]acetic acid;(2-hydroxy-1-phosphonoethyl)phosphonic acid is O=C(O)CN(CC(=O)O)CC(=O)O.O=P(O)(O)C(CO)P(=O)(O)O.
What is the InChIKey of 2-[bis(carboxymethyl)amino]acetic acid;(2-hydroxy-1-phosphonoethyl)phosphonic acid?
The InChIKey is WNOCLLSUXDARPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO6.C2H8O7P2/c8-4(9)1-7(2-5(10)11)3-6(12)13;3-1-2(10(4,5)6)11(7,8)9/h1-3H2,(H,8,9)(H,10,11)(H,12,13);2-3H,1H2,(H2,4,5,6)(H2,7,8,9).
What are the key properties of 2-[bis(carboxymethyl)amino]acetic acid;(2-hydroxy-1-phosphonoethyl)phosphonic acid?
2-[bis(carboxymethyl)amino]acetic acid;(2-hydroxy-1-phosphonoethyl)phosphonic acid has a molecular weight of 397.17 g/mol, XLogP of -2.80, 9 rotatable bonds, 8 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(carboxymethyl)amino]acetic acid;(2-hydroxy-1-phosphonoethyl)phosphonic acid is sourced from PubChem (CID 175054522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).