2-[2-aminoethyl-[2-(2,5-dihydroxypyrrol-1-yl)oxy-2-oxoethyl]amino]acetic acid

C10H15N3O6 — CID 57059522

IUPAC2-[2-aminoethyl-[2-(2,5-dihydroxypyrrol-1-yl)oxy-2-oxoethyl]amino]acetic acid
SMILESNCCN(CC(=O)O)CC(=O)On1c(O)ccc1O
InChIInChI=1S/C10H15N3O6/c11-3-4-12(5-9(16)17)6-10(18)19-13-7(14)1-2-8(13)15/h1-2,14-15H,3-6,11H2,(H,16,17)
InChIKeyZTDBCGSDHBKSIU-UHFFFAOYSA-N
MW273.24 g/mol
LogP-1.80
Rot. Bonds7

About 2-[2-aminoethyl-[2-(2,5-dihydroxypyrrol-1-yl)oxy-2-oxoethyl]amino]acetic acid

2-[2-aminoethyl-[2-(2,5-dihydroxypyrrol-1-yl)oxy-2-oxoethyl]amino]acetic acid (PubChem CID 57059522) has the molecular formula C10H15N3O6 and a molecular weight of 273.24 g/mol. Its IUPAC name is 2-[2-aminoethyl-[2-(2,5-dihydroxypyrrol-1-yl)oxy-2-oxoethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[2-aminoethyl-[2-(2,5-dihydroxypyrrol-1-yl)oxy-2-oxoethyl]amino]acetic acid
PubChem CID57059522
Molecular FormulaC10H15N3O6
Molecular Weight273.24 g/mol
Exact Mass273.10
IUPAC Name2-[2-aminoethyl-[2-(2,5-dihydroxypyrrol-1-yl)oxy-2-oxoethyl]amino]acetic acid
SMILESNCCN(CC(=O)O)CC(=O)On1c(O)ccc1O
InChIInChI=1S/C10H15N3O6/c11-3-4-12(5-9(16)17)6-10(18)19-13-7(14)1-2-8(13)15/h1-2,14-15H,3-6,11H2,(H,16,17)
InChIKeyZTDBCGSDHBKSIU-UHFFFAOYSA-N
XLogP-1.80
TPSA138.25 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.24
LogP ≤ 5-1.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[2-aminoethyl-[2-(2,5-dihydroxypyrrol-1-yl)oxy-2-oxoethyl]amino]acetic acid?
The IUPAC name of 2-[2-aminoethyl-[2-(2,5-dihydroxypyrrol-1-yl)oxy-2-oxoethyl]amino]acetic acid (CID 57059522) is 2-[2-aminoethyl-[2-(2,5-dihydroxypyrrol-1-yl)oxy-2-oxoethyl]amino]acetic acid.
What is the SMILES notation for 2-[2-aminoethyl-[2-(2,5-dihydroxypyrrol-1-yl)oxy-2-oxoethyl]amino]acetic acid?
The canonical SMILES for 2-[2-aminoethyl-[2-(2,5-dihydroxypyrrol-1-yl)oxy-2-oxoethyl]amino]acetic acid is NCCN(CC(=O)O)CC(=O)On1c(O)ccc1O.
What is the InChIKey of 2-[2-aminoethyl-[2-(2,5-dihydroxypyrrol-1-yl)oxy-2-oxoethyl]amino]acetic acid?
The InChIKey is ZTDBCGSDHBKSIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O6/c11-3-4-12(5-9(16)17)6-10(18)19-13-7(14)1-2-8(13)15/h1-2,14-15H,3-6,11H2,(H,16,17).
What are the key properties of 2-[2-aminoethyl-[2-(2,5-dihydroxypyrrol-1-yl)oxy-2-oxoethyl]amino]acetic acid?
2-[2-aminoethyl-[2-(2,5-dihydroxypyrrol-1-yl)oxy-2-oxoethyl]amino]acetic acid has a molecular weight of 273.24 g/mol, XLogP of -1.80, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-aminoethyl-[2-(2,5-dihydroxypyrrol-1-yl)oxy-2-oxoethyl]amino]acetic acid is sourced from PubChem (CID 57059522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).