2-aminoethanol;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid

C12H23N3O9 — CID 6454629

IUPAC2-aminoethanol;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid
SMILESNCCO.O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O
InChIInChI=1S/C10H16N2O8.C2H7NO/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;3-1-2-4/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);4H,1-3H2
InChIKeyHHKBNCKQWLHDDE-UHFFFAOYSA-N
MW353.33 g/mol
LogP-3.13
Rot. Bonds12

About 2-aminoethanol;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid

2-aminoethanol;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid (PubChem CID 6454629) has the molecular formula C12H23N3O9 and a molecular weight of 353.33 g/mol. Its IUPAC name is 2-aminoethanol;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid.

Molecular Properties

Compound Name2-aminoethanol;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid
PubChem CID6454629
Molecular FormulaC12H23N3O9
Molecular Weight353.33 g/mol
Exact Mass353.14
IUPAC Name2-aminoethanol;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid
SMILESNCCO.O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O
InChIInChI=1S/C10H16N2O8.C2H7NO/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;3-1-2-4/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);4H,1-3H2
InChIKeyHHKBNCKQWLHDDE-UHFFFAOYSA-N
XLogP-3.13
TPSA201.93 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.33
LogP ≤ 5-3.13
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-aminoethanol;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid?
The IUPAC name of 2-aminoethanol;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid (CID 6454629) is 2-aminoethanol;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid.
What is the SMILES notation for 2-aminoethanol;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid?
The canonical SMILES for 2-aminoethanol;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid is NCCO.O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O.
What is the InChIKey of 2-aminoethanol;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid?
The InChIKey is HHKBNCKQWLHDDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O8.C2H7NO/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;3-1-2-4/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);4H,1-3H2.
What are the key properties of 2-aminoethanol;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid?
2-aminoethanol;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid has a molecular weight of 353.33 g/mol, XLogP of -3.13, 12 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethanol;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid is sourced from PubChem (CID 6454629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).