acetic acid;2-[bis(2-hydroxyethyl)amino]ethanol;2,3-dihydroxypropanamide

C13H30N2O10 — CID 174382257

IUPACacetic acid;2-[bis(2-hydroxyethyl)amino]ethanol;2,3-dihydroxypropanamide
SMILESCC(=O)O.CC(=O)O.NC(=O)C(O)CO.OCCN(CCO)CCO
InChIInChI=1S/C6H15NO3.C3H7NO3.2C2H4O2/c8-4-1-7(2-5-9)3-6-10;4-3(7)2(6)1-5;2*1-2(3)4/h8-10H,1-6H2;2,5-6H,1H2,(H2,4,7);2*1H3,(H,3,4)
InChIKeyORVLWLKEKQPJDY-UHFFFAOYSA-N
MW374.39 g/mol
LogP-3.73
Rot. Bonds8

About acetic acid;2-[bis(2-hydroxyethyl)amino]ethanol;2,3-dihydroxypropanamide

acetic acid;2-[bis(2-hydroxyethyl)amino]ethanol;2,3-dihydroxypropanamide (PubChem CID 174382257) has the molecular formula C13H30N2O10 and a molecular weight of 374.39 g/mol. Its IUPAC name is acetic acid;2-[bis(2-hydroxyethyl)amino]ethanol;2,3-dihydroxypropanamide.

Molecular Properties

Compound Nameacetic acid;2-[bis(2-hydroxyethyl)amino]ethanol;2,3-dihydroxypropanamide
PubChem CID174382257
Molecular FormulaC13H30N2O10
Molecular Weight374.39 g/mol
Exact Mass374.19
IUPAC Nameacetic acid;2-[bis(2-hydroxyethyl)amino]ethanol;2,3-dihydroxypropanamide
SMILESCC(=O)O.CC(=O)O.NC(=O)C(O)CO.OCCN(CCO)CCO
InChIInChI=1S/C6H15NO3.C3H7NO3.2C2H4O2/c8-4-1-7(2-5-9)3-6-10;4-3(7)2(6)1-5;2*1-2(3)4/h8-10H,1-6H2;2,5-6H,1H2,(H2,4,7);2*1H3,(H,3,4)
InChIKeyORVLWLKEKQPJDY-UHFFFAOYSA-N
XLogP-3.73
TPSA222.08 Ų
H-Bond Donors8
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.39
LogP ≤ 5-3.73
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of acetic acid;2-[bis(2-hydroxyethyl)amino]ethanol;2,3-dihydroxypropanamide?
The IUPAC name of acetic acid;2-[bis(2-hydroxyethyl)amino]ethanol;2,3-dihydroxypropanamide (CID 174382257) is acetic acid;2-[bis(2-hydroxyethyl)amino]ethanol;2,3-dihydroxypropanamide.
What is the SMILES notation for acetic acid;2-[bis(2-hydroxyethyl)amino]ethanol;2,3-dihydroxypropanamide?
The canonical SMILES for acetic acid;2-[bis(2-hydroxyethyl)amino]ethanol;2,3-dihydroxypropanamide is CC(=O)O.CC(=O)O.NC(=O)C(O)CO.OCCN(CCO)CCO.
What is the InChIKey of acetic acid;2-[bis(2-hydroxyethyl)amino]ethanol;2,3-dihydroxypropanamide?
The InChIKey is ORVLWLKEKQPJDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO3.C3H7NO3.2C2H4O2/c8-4-1-7(2-5-9)3-6-10;4-3(7)2(6)1-5;2*1-2(3)4/h8-10H,1-6H2;2,5-6H,1H2,(H2,4,7);2*1H3,(H,3,4).
What are the key properties of acetic acid;2-[bis(2-hydroxyethyl)amino]ethanol;2,3-dihydroxypropanamide?
acetic acid;2-[bis(2-hydroxyethyl)amino]ethanol;2,3-dihydroxypropanamide has a molecular weight of 374.39 g/mol, XLogP of -3.73, 8 rotatable bonds, 8 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;2-[bis(2-hydroxyethyl)amino]ethanol;2,3-dihydroxypropanamide is sourced from PubChem (CID 174382257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).