(2S,3R)-2-amino-3-hydroxybutanedioic acid;hydrochloride

C4H8ClNO5 — CID 91928385

IUPAC(2S,3R)-2-amino-3-hydroxybutanedioic acid;hydrochloride
SMILESCl.N[C@H](C(=O)O)[C@@H](O)C(=O)O
InChIInChI=1S/C4H7NO5.ClH/c5-1(3(7)8)2(6)4(9)10;/h1-2,6H,5H2,(H,7,8)(H,9,10);1H/t1-,2+;/m0./s1
InChIKeyCNSCFTFKMPWXOF-FCIMFNEVSA-N
MW185.56 g/mol
LogP-1.73
Rot. Bonds3

About (2S,3R)-2-amino-3-hydroxybutanedioic acid;hydrochloride

(2S,3R)-2-amino-3-hydroxybutanedioic acid;hydrochloride (PubChem CID 91928385) has the molecular formula C4H8ClNO5 and a molecular weight of 185.56 g/mol. Its IUPAC name is (2S,3R)-2-amino-3-hydroxybutanedioic acid;hydrochloride.

Molecular Properties

Compound Name(2S,3R)-2-amino-3-hydroxybutanedioic acid;hydrochloride
PubChem CID91928385
Molecular FormulaC4H8ClNO5
Molecular Weight185.56 g/mol
Exact Mass185.01
IUPAC Name(2S,3R)-2-amino-3-hydroxybutanedioic acid;hydrochloride
SMILESCl.N[C@H](C(=O)O)[C@@H](O)C(=O)O
InChIInChI=1S/C4H7NO5.ClH/c5-1(3(7)8)2(6)4(9)10;/h1-2,6H,5H2,(H,7,8)(H,9,10);1H/t1-,2+;/m0./s1
InChIKeyCNSCFTFKMPWXOF-FCIMFNEVSA-N
XLogP-1.73
TPSA120.85 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.56
LogP ≤ 5-1.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-3,4-dihydroxypentanedioic acid
CID 22790188
(2S,3S)-2-amino-3-hydroxybutanoic acid;hydrochloride
CID 122360052
(2S)-2-amino-3-hydroxy-4-methylidenepentanedioic acid
CID 87253521
(2S,3R)-2-amino-3-hydroxy-4-methoxy-4-oxobutanoic acid
CID 11008248
(3S)-2-hydroxy-3-(methylamino)butanedioic acid;hydrochloride
CID 88679136
(2R,3R)-2,3-diaminobutanoic acid;dihydrochloride
CID 71463685
(2S,3R)-2-amino-3-hydroxybutanoic acid
CID 158974218
(2R,3S)-2,3-diaminobutanoic acid;dihydrochloride
CID 15941603
(2R,3R)-3-amino-2-hydroxybutanoic acid
CID 10997015
(2R,3R)-2-amino-3-chloro-3-hydroxypropanoic acid
CID 174951992
alumane;2,3-dihydroxybutanedioic acid
CID 173001814
2,3-dihydroxybutanedioic acid;rhodium
CID 88806318

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-amino-3-hydroxybutanedioic acid;hydrochloride?
The IUPAC name of (2S,3R)-2-amino-3-hydroxybutanedioic acid;hydrochloride (CID 91928385) is (2S,3R)-2-amino-3-hydroxybutanedioic acid;hydrochloride.
What is the SMILES notation for (2S,3R)-2-amino-3-hydroxybutanedioic acid;hydrochloride?
The canonical SMILES for (2S,3R)-2-amino-3-hydroxybutanedioic acid;hydrochloride is Cl.N[C@H](C(=O)O)[C@@H](O)C(=O)O.
What is the InChIKey of (2S,3R)-2-amino-3-hydroxybutanedioic acid;hydrochloride?
The InChIKey is CNSCFTFKMPWXOF-FCIMFNEVSA-N. The full InChI is InChI=1S/C4H7NO5.ClH/c5-1(3(7)8)2(6)4(9)10;/h1-2,6H,5H2,(H,7,8)(H,9,10);1H/t1-,2+;/m0./s1.
What are the key properties of (2S,3R)-2-amino-3-hydroxybutanedioic acid;hydrochloride?
(2S,3R)-2-amino-3-hydroxybutanedioic acid;hydrochloride has a molecular weight of 185.56 g/mol, XLogP of -1.73, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-amino-3-hydroxybutanedioic acid;hydrochloride is sourced from PubChem (CID 91928385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).