2-hydroxybutanedioic acid;1,3-oxazolidine;hydrochloride

C7H14ClNO6 — CID 175569616

IUPAC2-hydroxybutanedioic acid;1,3-oxazolidine;hydrochloride
SMILESC1COCN1.Cl.O=C(O)CC(O)C(=O)O
InChIInChI=1S/C4H6O5.C3H7NO.ClH/c5-2(4(8)9)1-3(6)7;1-2-5-3-4-1;/h2,5H,1H2,(H,6,7)(H,8,9);4H,1-3H2;1H
InChIKeyDASBLKQGESWYEH-UHFFFAOYSA-N
MW243.64 g/mol
LogP-1.11
Rot. Bonds3

About 2-hydroxybutanedioic acid;1,3-oxazolidine;hydrochloride

2-hydroxybutanedioic acid;1,3-oxazolidine;hydrochloride (PubChem CID 175569616) has the molecular formula C7H14ClNO6 and a molecular weight of 243.64 g/mol. Its IUPAC name is 2-hydroxybutanedioic acid;1,3-oxazolidine;hydrochloride.

Molecular Properties

Compound Name2-hydroxybutanedioic acid;1,3-oxazolidine;hydrochloride
PubChem CID175569616
Molecular FormulaC7H14ClNO6
Molecular Weight243.64 g/mol
Exact Mass243.05
IUPAC Name2-hydroxybutanedioic acid;1,3-oxazolidine;hydrochloride
SMILESC1COCN1.Cl.O=C(O)CC(O)C(=O)O
InChIInChI=1S/C4H6O5.C3H7NO.ClH/c5-2(4(8)9)1-3(6)7;1-2-5-3-4-1;/h2,5H,1H2,(H,6,7)(H,8,9);4H,1-3H2;1H
InChIKeyDASBLKQGESWYEH-UHFFFAOYSA-N
XLogP-1.11
TPSA116.09 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.64
LogP ≤ 5-1.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-hydroxy-4-oxo-4-[[(5S)-2-oxo-1,3-oxazolidin-5-yl]methoxy]butanoic acid
CID 57558061
4,4-Dimethyl-1,3-oxazolidine;2-hydroxybutanedioic acid
CID 139301434
2,3-Dihydroxybutanedioic acid;4,4-dimethyl-1,3-oxazolidine
CID 139301562
dideuterio (3S)-2,2,3-trideuterio-3-deuteriooxybutanedioate;(3S)-2,2,3,4,4,5,5-heptadeuteriopyrrolidin-3-ol;hydrochloride
CID 158316677
sodium (2S)-2-hydroxy-4-oxo-4-[[(5S)-2-oxo-1,3-oxazolidin-5-yl]methoxy]butanoic acid
CID 162324369
2,3-Dihydroxybutanedioic acid;2-(methylamino)ethanol
CID 173051397
2,3-Dihydroxy-4-[2-(methylamino)ethoxy]-4-oxobutanoic acid
CID 174900950

Frequently Asked Questions

What is the IUPAC name of 2-hydroxybutanedioic acid;1,3-oxazolidine;hydrochloride?
The IUPAC name of 2-hydroxybutanedioic acid;1,3-oxazolidine;hydrochloride (CID 175569616) is 2-hydroxybutanedioic acid;1,3-oxazolidine;hydrochloride.
What is the SMILES notation for 2-hydroxybutanedioic acid;1,3-oxazolidine;hydrochloride?
The canonical SMILES for 2-hydroxybutanedioic acid;1,3-oxazolidine;hydrochloride is C1COCN1.Cl.O=C(O)CC(O)C(=O)O.
What is the InChIKey of 2-hydroxybutanedioic acid;1,3-oxazolidine;hydrochloride?
The InChIKey is DASBLKQGESWYEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O5.C3H7NO.ClH/c5-2(4(8)9)1-3(6)7;1-2-5-3-4-1;/h2,5H,1H2,(H,6,7)(H,8,9);4H,1-3H2;1H.
What are the key properties of 2-hydroxybutanedioic acid;1,3-oxazolidine;hydrochloride?
2-hydroxybutanedioic acid;1,3-oxazolidine;hydrochloride has a molecular weight of 243.64 g/mol, XLogP of -1.11, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxybutanedioic acid;1,3-oxazolidine;hydrochloride is sourced from PubChem (CID 175569616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).