2-[2-[2-[2-(dicarboxymethylamino)ethoxy]ethoxy]ethylamino]propanedioic acid

C12H20N2O10 — CID 19853498

IUPAC2-[2-[2-[2-(dicarboxymethylamino)ethoxy]ethoxy]ethylamino]propanedioic acid
SMILESO=C(O)C(NCCOCCOCCNC(C(=O)O)C(=O)O)C(=O)O
InChIInChI=1S/C12H20N2O10/c15-9(16)7(10(17)18)13-1-3-23-5-6-24-4-2-14-8(11(19)20)12(21)22/h7-8,13-14H,1-6H2,(H,15,16)(H,17,18)(H,19,20)(H,21,22)
InChIKeyIQVSCPOMGODOKD-UHFFFAOYSA-N
MW352.30 g/mol
LogP-2.73
Rot. Bonds15

About 2-[2-[2-[2-(dicarboxymethylamino)ethoxy]ethoxy]ethylamino]propanedioic acid

2-[2-[2-[2-(dicarboxymethylamino)ethoxy]ethoxy]ethylamino]propanedioic acid (PubChem CID 19853498) has the molecular formula C12H20N2O10 and a molecular weight of 352.30 g/mol. Its IUPAC name is 2-[2-[2-[2-(dicarboxymethylamino)ethoxy]ethoxy]ethylamino]propanedioic acid.

Molecular Properties

Compound Name2-[2-[2-[2-(dicarboxymethylamino)ethoxy]ethoxy]ethylamino]propanedioic acid
PubChem CID19853498
Molecular FormulaC12H20N2O10
Molecular Weight352.30 g/mol
Exact Mass352.11
IUPAC Name2-[2-[2-[2-(dicarboxymethylamino)ethoxy]ethoxy]ethylamino]propanedioic acid
SMILESO=C(O)C(NCCOCCOCCNC(C(=O)O)C(=O)O)C(=O)O
InChIInChI=1S/C12H20N2O10/c15-9(16)7(10(17)18)13-1-3-23-5-6-24-4-2-14-8(11(19)20)12(21)22/h7-8,13-14H,1-6H2,(H,15,16)(H,17,18)(H,19,20)(H,21,22)
InChIKeyIQVSCPOMGODOKD-UHFFFAOYSA-N
XLogP-2.73
TPSA191.72 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.30
LogP ≤ 5-2.73
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-[2-[2-[2-(1,2-dicarboxyethylamino)ethoxy]ethoxy]ethylamino]butanedioic acid;hydrochloride
CID 154696995
2-(2-propoxyethylamino)pentanoic acid
CID 106454592
(2S)-2-[2-(2-methoxyethoxy)ethylamino]pentanedioic acid
CID 175753969
2-(2-butoxyethylamino)butanoic acid
CID 64667576
2-[2-(diformyloxymethylamino)ethylamino]propanedioic acid
CID 89457539
2-(2-ethoxyethylamino)butanoic acid
CID 64668941
2-methyl-N-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide
CID 138727258
1-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]propan-2-one
CID 138727906
2-[2-(propan-2-ylamino)ethoxy]ethyl acetate
CID 172574123
2-methyl-N-[2-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide
CID 138727326
N-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethyl]acetamide
CID 153390666
(2S)-2-amino-N-[2-[2-[2-[[(2S)-2-aminopropanoyl]amino]ethoxy]ethoxy]ethyl]propanamide
CID 15459454

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-(dicarboxymethylamino)ethoxy]ethoxy]ethylamino]propanedioic acid?
The IUPAC name of 2-[2-[2-[2-(dicarboxymethylamino)ethoxy]ethoxy]ethylamino]propanedioic acid (CID 19853498) is 2-[2-[2-[2-(dicarboxymethylamino)ethoxy]ethoxy]ethylamino]propanedioic acid.
What is the SMILES notation for 2-[2-[2-[2-(dicarboxymethylamino)ethoxy]ethoxy]ethylamino]propanedioic acid?
The canonical SMILES for 2-[2-[2-[2-(dicarboxymethylamino)ethoxy]ethoxy]ethylamino]propanedioic acid is O=C(O)C(NCCOCCOCCNC(C(=O)O)C(=O)O)C(=O)O.
What is the InChIKey of 2-[2-[2-[2-(dicarboxymethylamino)ethoxy]ethoxy]ethylamino]propanedioic acid?
The InChIKey is IQVSCPOMGODOKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O10/c15-9(16)7(10(17)18)13-1-3-23-5-6-24-4-2-14-8(11(19)20)12(21)22/h7-8,13-14H,1-6H2,(H,15,16)(H,17,18)(H,19,20)(H,21,22).
What are the key properties of 2-[2-[2-[2-(dicarboxymethylamino)ethoxy]ethoxy]ethylamino]propanedioic acid?
2-[2-[2-[2-(dicarboxymethylamino)ethoxy]ethoxy]ethylamino]propanedioic acid has a molecular weight of 352.30 g/mol, XLogP of -2.73, 15 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-(dicarboxymethylamino)ethoxy]ethoxy]ethylamino]propanedioic acid is sourced from PubChem (CID 19853498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).