2-amino-4-hydroxybutanoic acid;3-aminooxolan-2-one;dihydrochloride

C8H18Cl2N2O5 — CID 161206494

IUPAC2-amino-4-hydroxybutanoic acid;3-aminooxolan-2-one;dihydrochloride
SMILESCl.Cl.NC(CCO)C(=O)O.NC1CCOC1=O
InChIInChI=1S/C4H9NO3.C4H7NO2.2ClH/c5-3(1-2-6)4(7)8;5-3-1-2-7-4(3)6;;/h3,6H,1-2,5H2,(H,7,8);3H,1-2,5H2;2*1H
InChIKeyFOLITBBTKGFHHS-UHFFFAOYSA-N
MW293.15 g/mol
LogP-1.12
Rot. Bonds3

About 2-amino-4-hydroxybutanoic acid;3-aminooxolan-2-one;dihydrochloride

2-amino-4-hydroxybutanoic acid;3-aminooxolan-2-one;dihydrochloride (PubChem CID 161206494) has the molecular formula C8H18Cl2N2O5 and a molecular weight of 293.15 g/mol. Its IUPAC name is 2-amino-4-hydroxybutanoic acid;3-aminooxolan-2-one;dihydrochloride.

Molecular Properties

Compound Name2-amino-4-hydroxybutanoic acid;3-aminooxolan-2-one;dihydrochloride
PubChem CID161206494
Molecular FormulaC8H18Cl2N2O5
Molecular Weight293.15 g/mol
Exact Mass292.06
IUPAC Name2-amino-4-hydroxybutanoic acid;3-aminooxolan-2-one;dihydrochloride
SMILESCl.Cl.NC(CCO)C(=O)O.NC1CCOC1=O
InChIInChI=1S/C4H9NO3.C4H7NO2.2ClH/c5-3(1-2-6)4(7)8;5-3-1-2-7-4(3)6;;/h3,6H,1-2,5H2,(H,7,8);3H,1-2,5H2;2*1H
InChIKeyFOLITBBTKGFHHS-UHFFFAOYSA-N
XLogP-1.12
TPSA135.87 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.15
LogP ≤ 5-1.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-4-hydroxybutanoic acid;piperazine-2,3-dione
CID 67413612
(2-oxooxolan-3-yl) 2-(aminomethyl)-4-hydroxybutanoate
CID 68636418
3-amino-4-oxo-4-(2-oxooxolan-3-yl)oxybutane-1-sulfonic acid
CID 90246285
(2S,5S)-2,5-diaminohexanedioic acid
CID 22871875
3-[(2S)-2-methyl-3-oxobutyl]oxolan-2-one
CID 46201937
(2R)-2-amino-6-hydroxyhexanoic acid
CID 5288041
2-[(2-oxooxolan-3-yl)amino]propanoic acid
CID 14819286
(2S)-2-amino-3-(3-amino-2-oxopyrrolidin-1-yl)propanoic acid
CID 178147603
oxan-4-ylmethyl (2S)-2-amino-4-hydroxybutanoate
CID 107825386
magnesium;(2S)-2-aminopentanedioic acid;hydride;hydrochloride
CID 173441751
3-(3-hydroxy-2-iodopropyl)oxolan-2-one
CID 11097593
2,6-diaminoheptanedioic acid
CID 865

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-hydroxybutanoic acid;3-aminooxolan-2-one;dihydrochloride?
The IUPAC name of 2-amino-4-hydroxybutanoic acid;3-aminooxolan-2-one;dihydrochloride (CID 161206494) is 2-amino-4-hydroxybutanoic acid;3-aminooxolan-2-one;dihydrochloride.
What is the SMILES notation for 2-amino-4-hydroxybutanoic acid;3-aminooxolan-2-one;dihydrochloride?
The canonical SMILES for 2-amino-4-hydroxybutanoic acid;3-aminooxolan-2-one;dihydrochloride is Cl.Cl.NC(CCO)C(=O)O.NC1CCOC1=O.
What is the InChIKey of 2-amino-4-hydroxybutanoic acid;3-aminooxolan-2-one;dihydrochloride?
The InChIKey is FOLITBBTKGFHHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO3.C4H7NO2.2ClH/c5-3(1-2-6)4(7)8;5-3-1-2-7-4(3)6;;/h3,6H,1-2,5H2,(H,7,8);3H,1-2,5H2;2*1H.
What are the key properties of 2-amino-4-hydroxybutanoic acid;3-aminooxolan-2-one;dihydrochloride?
2-amino-4-hydroxybutanoic acid;3-aminooxolan-2-one;dihydrochloride has a molecular weight of 293.15 g/mol, XLogP of -1.12, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-hydroxybutanoic acid;3-aminooxolan-2-one;dihydrochloride is sourced from PubChem (CID 161206494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).