2-hydroxy-3-[2-hydroxyethyl(2-hydroxypropanoyl)amino]propanamide

C8H16N2O5 — CID 87074892

IUPAC2-hydroxy-3-[2-hydroxyethyl(2-hydroxypropanoyl)amino]propanamide
SMILESCC(O)C(=O)N(CCO)CC(O)C(N)=O
InChIInChI=1S/C8H16N2O5/c1-5(12)8(15)10(2-3-11)4-6(13)7(9)14/h5-6,11-13H,2-4H2,1H3,(H2,9,14)
InChIKeyIWMGKKZEWBRFNN-UHFFFAOYSA-N
MW220.22 g/mol
LogP-2.97
Rot. Bonds6

About 2-hydroxy-3-[2-hydroxyethyl(2-hydroxypropanoyl)amino]propanamide

2-hydroxy-3-[2-hydroxyethyl(2-hydroxypropanoyl)amino]propanamide (PubChem CID 87074892) has the molecular formula C8H16N2O5 and a molecular weight of 220.22 g/mol. Its IUPAC name is 2-hydroxy-3-[2-hydroxyethyl(2-hydroxypropanoyl)amino]propanamide.

Molecular Properties

Compound Name2-hydroxy-3-[2-hydroxyethyl(2-hydroxypropanoyl)amino]propanamide
PubChem CID87074892
Molecular FormulaC8H16N2O5
Molecular Weight220.22 g/mol
Exact Mass220.11
IUPAC Name2-hydroxy-3-[2-hydroxyethyl(2-hydroxypropanoyl)amino]propanamide
SMILESCC(O)C(=O)N(CCO)CC(O)C(N)=O
InChIInChI=1S/C8H16N2O5/c1-5(12)8(15)10(2-3-11)4-6(13)7(9)14/h5-6,11-13H,2-4H2,1H3,(H2,9,14)
InChIKeyIWMGKKZEWBRFNN-UHFFFAOYSA-N
XLogP-2.97
TPSA124.09 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.22
LogP ≤ 5-2.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-[2-hydroxyethyl(2-hydroxypropanoyl)amino]propanamide?
The IUPAC name of 2-hydroxy-3-[2-hydroxyethyl(2-hydroxypropanoyl)amino]propanamide (CID 87074892) is 2-hydroxy-3-[2-hydroxyethyl(2-hydroxypropanoyl)amino]propanamide.
What is the SMILES notation for 2-hydroxy-3-[2-hydroxyethyl(2-hydroxypropanoyl)amino]propanamide?
The canonical SMILES for 2-hydroxy-3-[2-hydroxyethyl(2-hydroxypropanoyl)amino]propanamide is CC(O)C(=O)N(CCO)CC(O)C(N)=O.
What is the InChIKey of 2-hydroxy-3-[2-hydroxyethyl(2-hydroxypropanoyl)amino]propanamide?
The InChIKey is IWMGKKZEWBRFNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O5/c1-5(12)8(15)10(2-3-11)4-6(13)7(9)14/h5-6,11-13H,2-4H2,1H3,(H2,9,14).
What are the key properties of 2-hydroxy-3-[2-hydroxyethyl(2-hydroxypropanoyl)amino]propanamide?
2-hydroxy-3-[2-hydroxyethyl(2-hydroxypropanoyl)amino]propanamide has a molecular weight of 220.22 g/mol, XLogP of -2.97, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-[2-hydroxyethyl(2-hydroxypropanoyl)amino]propanamide is sourced from PubChem (CID 87074892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).