2-[2-(carbamoylamino)ethyl-[2-(carboxymethoxy)ethyl]amino]acetic acid

C9H17N3O6 — CID 143257623

IUPAC2-[2-(carbamoylamino)ethyl-[2-(carboxymethoxy)ethyl]amino]acetic acid
SMILESNC(=O)NCCN(CCOCC(=O)O)CC(=O)O
InChIInChI=1S/C9H17N3O6/c10-9(17)11-1-2-12(5-7(13)14)3-4-18-6-8(15)16/h1-6H2,(H,13,14)(H,15,16)(H3,10,11,17)
InChIKeyCGSOQGDTYCAZGV-UHFFFAOYSA-N
MW263.25 g/mol
LogP-1.86
Rot. Bonds10

About 2-[2-(carbamoylamino)ethyl-[2-(carboxymethoxy)ethyl]amino]acetic acid

2-[2-(carbamoylamino)ethyl-[2-(carboxymethoxy)ethyl]amino]acetic acid (PubChem CID 143257623) has the molecular formula C9H17N3O6 and a molecular weight of 263.25 g/mol. Its IUPAC name is 2-[2-(carbamoylamino)ethyl-[2-(carboxymethoxy)ethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[2-(carbamoylamino)ethyl-[2-(carboxymethoxy)ethyl]amino]acetic acid
PubChem CID143257623
Molecular FormulaC9H17N3O6
Molecular Weight263.25 g/mol
Exact Mass263.11
IUPAC Name2-[2-(carbamoylamino)ethyl-[2-(carboxymethoxy)ethyl]amino]acetic acid
SMILESNC(=O)NCCN(CCOCC(=O)O)CC(=O)O
InChIInChI=1S/C9H17N3O6/c10-9(17)11-1-2-12(5-7(13)14)3-4-18-6-8(15)16/h1-6H2,(H,13,14)(H,15,16)(H3,10,11,17)
InChIKeyCGSOQGDTYCAZGV-UHFFFAOYSA-N
XLogP-1.86
TPSA142.19 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 5-1.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(carbamoylamino)ethyl-[2-(carboxymethoxy)ethyl]amino]acetic acid?
The IUPAC name of 2-[2-(carbamoylamino)ethyl-[2-(carboxymethoxy)ethyl]amino]acetic acid (CID 143257623) is 2-[2-(carbamoylamino)ethyl-[2-(carboxymethoxy)ethyl]amino]acetic acid.
What is the SMILES notation for 2-[2-(carbamoylamino)ethyl-[2-(carboxymethoxy)ethyl]amino]acetic acid?
The canonical SMILES for 2-[2-(carbamoylamino)ethyl-[2-(carboxymethoxy)ethyl]amino]acetic acid is NC(=O)NCCN(CCOCC(=O)O)CC(=O)O.
What is the InChIKey of 2-[2-(carbamoylamino)ethyl-[2-(carboxymethoxy)ethyl]amino]acetic acid?
The InChIKey is CGSOQGDTYCAZGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O6/c10-9(17)11-1-2-12(5-7(13)14)3-4-18-6-8(15)16/h1-6H2,(H,13,14)(H,15,16)(H3,10,11,17).
What are the key properties of 2-[2-(carbamoylamino)ethyl-[2-(carboxymethoxy)ethyl]amino]acetic acid?
2-[2-(carbamoylamino)ethyl-[2-(carboxymethoxy)ethyl]amino]acetic acid has a molecular weight of 263.25 g/mol, XLogP of -1.86, 10 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(carbamoylamino)ethyl-[2-(carboxymethoxy)ethyl]amino]acetic acid is sourced from PubChem (CID 143257623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).