2-[bis(2-hydroxyethyl)amino]ethanol;(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid

C11H24N2O6 — CID 174421816

IUPAC2-[bis(2-hydroxyethyl)amino]ethanol;(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@@H](O)CN1.OCCN(CCO)CCO
InChIInChI=1S/C6H15NO3.C5H9NO3/c8-4-1-7(2-5-9)3-6-10;7-3-1-4(5(8)9)6-2-3/h8-10H,1-6H2;3-4,6-7H,1-2H2,(H,8,9)/t;3-,4+/m.1/s1
InChIKeyQKRJHLJKAIPSAW-OOLPFSOCSA-N
MW280.32 g/mol
LogP-2.94
Rot. Bonds7

About 2-[bis(2-hydroxyethyl)amino]ethanol;(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid

2-[bis(2-hydroxyethyl)amino]ethanol;(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid (PubChem CID 174421816) has the molecular formula C11H24N2O6 and a molecular weight of 280.32 g/mol. Its IUPAC name is 2-[bis(2-hydroxyethyl)amino]ethanol;(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name2-[bis(2-hydroxyethyl)amino]ethanol;(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid
PubChem CID174421816
Molecular FormulaC11H24N2O6
Molecular Weight280.32 g/mol
Exact Mass280.16
IUPAC Name2-[bis(2-hydroxyethyl)amino]ethanol;(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@@H](O)CN1.OCCN(CCO)CCO
InChIInChI=1S/C6H15NO3.C5H9NO3/c8-4-1-7(2-5-9)3-6-10;7-3-1-4(5(8)9)6-2-3/h8-10H,1-6H2;3-4,6-7H,1-2H2,(H,8,9)/t;3-,4+/m.1/s1
InChIKeyQKRJHLJKAIPSAW-OOLPFSOCSA-N
XLogP-2.94
TPSA133.49 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.32
LogP ≤ 5-2.94
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

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Related Compounds

(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid;hydrochloride
CID 11205991
(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid;hydroxysilane
CID 131716757
2-aminoacetic acid;(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid
CID 67068644
(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid;1H-pyrrole
CID 172843797
2-[carboxymethyl(2-hydroxyethyl)amino]acetic acid;piperazine-2,5-dicarboxylic acid
CID 70563311
(2S)-4-hydroxypyrrolidine-2-carboxylic acid;(2S)-5-hydroxypyrrolidine-2-carboxylic acid
CID 157188043
N-cyclohexyl-4-hydroxy-N-(2-hydroxyethyl)pyrrolidine-2-carboxamide
CID 54870885
(2S,4S)-4-hydroxypyrrolidine-2-carboxylic acid;2,2,2-trifluoroacetic acid
CID 129315200
4-hydroxypyrrolidine-2-carboxylic acid;2-(trimethylazaniumyl)acetate
CID 19098789
2-aminoacetic acid;(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid;(2S)-pyrrolidine-2-carboxylic acid
CID 66938353
(4S)-4-(hydroxymethyl)pyrrolidine-2-carboxylic acid
CID 5318293
1-[(2S)-4-hydroxypyrrolidin-2-yl]ethanone
CID 154429079

Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-hydroxyethyl)amino]ethanol;(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid?
The IUPAC name of 2-[bis(2-hydroxyethyl)amino]ethanol;(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid (CID 174421816) is 2-[bis(2-hydroxyethyl)amino]ethanol;(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for 2-[bis(2-hydroxyethyl)amino]ethanol;(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid?
The canonical SMILES for 2-[bis(2-hydroxyethyl)amino]ethanol;(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid is O=C(O)[C@@H]1C[C@@H](O)CN1.OCCN(CCO)CCO.
What is the InChIKey of 2-[bis(2-hydroxyethyl)amino]ethanol;(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid?
The InChIKey is QKRJHLJKAIPSAW-OOLPFSOCSA-N. The full InChI is InChI=1S/C6H15NO3.C5H9NO3/c8-4-1-7(2-5-9)3-6-10;7-3-1-4(5(8)9)6-2-3/h8-10H,1-6H2;3-4,6-7H,1-2H2,(H,8,9)/t;3-,4+/m.1/s1.
What are the key properties of 2-[bis(2-hydroxyethyl)amino]ethanol;(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid?
2-[bis(2-hydroxyethyl)amino]ethanol;(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid has a molecular weight of 280.32 g/mol, XLogP of -2.94, 7 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-hydroxyethyl)amino]ethanol;(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 174421816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).