2-[bis[2-[carboxymethyl-[2-oxo-2-(2-oxoethylamino)ethyl]amino]ethyl]amino]acetic acid

C18H29N5O10 — CID 23216483

IUPAC2-[bis[2-[carboxymethyl-[2-oxo-2-(2-oxoethylamino)ethyl]amino]ethyl]amino]acetic acid
SMILESO=CCNC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)NCC=O)CC(=O)O)CC(=O)O
InChIInChI=1S/C18H29N5O10/c24-7-1-19-14(26)9-22(12-17(30)31)5-3-21(11-16(28)29)4-6-23(13-18(32)33)10-15(27)20-2-8-25/h7-8H,1-6,9-13H2,(H,19,26)(H,20,27)(H,28,29)(H,30,31)(H,32,33)
InChIKeyZBDUYYQAGWHBPL-UHFFFAOYSA-N
MW475.46 g/mol
LogP-4.22
Rot. Bonds20

About 2-[bis[2-[carboxymethyl-[2-oxo-2-(2-oxoethylamino)ethyl]amino]ethyl]amino]acetic acid

2-[bis[2-[carboxymethyl-[2-oxo-2-(2-oxoethylamino)ethyl]amino]ethyl]amino]acetic acid (PubChem CID 23216483) has the molecular formula C18H29N5O10 and a molecular weight of 475.46 g/mol. Its IUPAC name is 2-[bis[2-[carboxymethyl-[2-oxo-2-(2-oxoethylamino)ethyl]amino]ethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[bis[2-[carboxymethyl-[2-oxo-2-(2-oxoethylamino)ethyl]amino]ethyl]amino]acetic acid
PubChem CID23216483
Molecular FormulaC18H29N5O10
Molecular Weight475.46 g/mol
Exact Mass475.19
IUPAC Name2-[bis[2-[carboxymethyl-[2-oxo-2-(2-oxoethylamino)ethyl]amino]ethyl]amino]acetic acid
SMILESO=CCNC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)NCC=O)CC(=O)O)CC(=O)O
InChIInChI=1S/C18H29N5O10/c24-7-1-19-14(26)9-22(12-17(30)31)5-3-21(11-16(28)29)4-6-23(13-18(32)33)10-15(27)20-2-8-25/h7-8H,1-6,9-13H2,(H,19,26)(H,20,27)(H,28,29)(H,30,31)(H,32,33)
InChIKeyZBDUYYQAGWHBPL-UHFFFAOYSA-N
XLogP-4.22
TPSA213.96 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds20
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.46
LogP ≤ 5-4.22
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[bis[2-[carboxymethyl-[2-oxo-2-(2-oxoethylamino)ethyl]amino]ethyl]amino]acetic acid?
The IUPAC name of 2-[bis[2-[carboxymethyl-[2-oxo-2-(2-oxoethylamino)ethyl]amino]ethyl]amino]acetic acid (CID 23216483) is 2-[bis[2-[carboxymethyl-[2-oxo-2-(2-oxoethylamino)ethyl]amino]ethyl]amino]acetic acid.
What is the SMILES notation for 2-[bis[2-[carboxymethyl-[2-oxo-2-(2-oxoethylamino)ethyl]amino]ethyl]amino]acetic acid?
The canonical SMILES for 2-[bis[2-[carboxymethyl-[2-oxo-2-(2-oxoethylamino)ethyl]amino]ethyl]amino]acetic acid is O=CCNC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)NCC=O)CC(=O)O)CC(=O)O.
What is the InChIKey of 2-[bis[2-[carboxymethyl-[2-oxo-2-(2-oxoethylamino)ethyl]amino]ethyl]amino]acetic acid?
The InChIKey is ZBDUYYQAGWHBPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O10/c24-7-1-19-14(26)9-22(12-17(30)31)5-3-21(11-16(28)29)4-6-23(13-18(32)33)10-15(27)20-2-8-25/h7-8H,1-6,9-13H2,(H,19,26)(H,20,27)(H,28,29)(H,30,31)(H,32,33).
What are the key properties of 2-[bis[2-[carboxymethyl-[2-oxo-2-(2-oxoethylamino)ethyl]amino]ethyl]amino]acetic acid?
2-[bis[2-[carboxymethyl-[2-oxo-2-(2-oxoethylamino)ethyl]amino]ethyl]amino]acetic acid has a molecular weight of 475.46 g/mol, XLogP of -4.22, 20 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis[2-[carboxymethyl-[2-oxo-2-(2-oxoethylamino)ethyl]amino]ethyl]amino]acetic acid is sourced from PubChem (CID 23216483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).