(2R,3S)-2-amino-3-hydroxybutanoic acid;(2R)-2-amino-3-hydroxypropanoic acid

C7H16N2O6 — CID 87257146

IUPAC(2R,3S)-2-amino-3-hydroxybutanoic acid;(2R)-2-amino-3-hydroxypropanoic acid
SMILESC[C@H](O)[C@@H](N)C(=O)O.N[C@H](CO)C(=O)O
InChIInChI=1S/C4H9NO3.C3H7NO3/c1-2(6)3(5)4(7)8;4-2(1-5)3(6)7/h2-3,6H,5H2,1H3,(H,7,8);2,5H,1,4H2,(H,6,7)/t2-,3+;2-/m01/s1
InChIKeyYUXKOWPNKJSTPQ-MQTUYAMASA-N
MW224.21 g/mol
LogP-2.83
Rot. Bonds4

About (2R,3S)-2-amino-3-hydroxybutanoic acid;(2R)-2-amino-3-hydroxypropanoic acid

(2R,3S)-2-amino-3-hydroxybutanoic acid;(2R)-2-amino-3-hydroxypropanoic acid (PubChem CID 87257146) has the molecular formula C7H16N2O6 and a molecular weight of 224.21 g/mol. Its IUPAC name is (2R,3S)-2-amino-3-hydroxybutanoic acid;(2R)-2-amino-3-hydroxypropanoic acid.

Molecular Properties

Compound Name(2R,3S)-2-amino-3-hydroxybutanoic acid;(2R)-2-amino-3-hydroxypropanoic acid
PubChem CID87257146
Molecular FormulaC7H16N2O6
Molecular Weight224.21 g/mol
Exact Mass224.10
IUPAC Name(2R,3S)-2-amino-3-hydroxybutanoic acid;(2R)-2-amino-3-hydroxypropanoic acid
SMILESC[C@H](O)[C@@H](N)C(=O)O.N[C@H](CO)C(=O)O
InChIInChI=1S/C4H9NO3.C3H7NO3/c1-2(6)3(5)4(7)8;4-2(1-5)3(6)7/h2-3,6H,5H2,1H3,(H,7,8);2,5H,1,4H2,(H,6,7)/t2-,3+;2-/m01/s1
InChIKeyYUXKOWPNKJSTPQ-MQTUYAMASA-N
XLogP-2.83
TPSA167.10 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500224.21
LogP ≤ 5-2.83
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Related Compounds

(2S,3R)-2-amino-3-hydroxybutanoic acid;(2S)-2-amino-3-hydroxypropanoic acid;(2S)-2-aminopropanoic acid
CID 87194816
(2S,3R)-2-amino-3-hydroxybutanoic acid
CID 158974218
(2S)-2-amino-3-hydroxypropanoic acid;(2S)-2-amino-3-methylbutanoic acid
CID 87148112
(2S,3S)-2-amino-3-hydroxybutanoic acid;hydrochloride
CID 122360052
2-amino-3-hydroxybutanoic acid;selane
CID 174980406
2-amino-3-hydroxybutanoic acid;hexane-1,2,3,4,5,6-hexol
CID 174656695
(2S)-2-amino-3-hydroxy(1,2,3-13C3)propanoic acid
CID 71309922
(2S,3R)-2-amino-3-hydroxybutanoic acid;propan-1-ol
CID 174830417
(2S)-2-amino-3-hydroxypropanoic acid;[(2S)-2-aminopropanoyl] (2S,3R)-2-amino-3-hydroxybutanoate
CID 87194814
2-amino-3-hydroxybutanoic acid;urea
CID 174908114
CID 157089134
CID 157089134
CID 87185843
CID 87185843

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-amino-3-hydroxybutanoic acid;(2R)-2-amino-3-hydroxypropanoic acid?
The IUPAC name of (2R,3S)-2-amino-3-hydroxybutanoic acid;(2R)-2-amino-3-hydroxypropanoic acid (CID 87257146) is (2R,3S)-2-amino-3-hydroxybutanoic acid;(2R)-2-amino-3-hydroxypropanoic acid.
What is the SMILES notation for (2R,3S)-2-amino-3-hydroxybutanoic acid;(2R)-2-amino-3-hydroxypropanoic acid?
The canonical SMILES for (2R,3S)-2-amino-3-hydroxybutanoic acid;(2R)-2-amino-3-hydroxypropanoic acid is C[C@H](O)[C@@H](N)C(=O)O.N[C@H](CO)C(=O)O.
What is the InChIKey of (2R,3S)-2-amino-3-hydroxybutanoic acid;(2R)-2-amino-3-hydroxypropanoic acid?
The InChIKey is YUXKOWPNKJSTPQ-MQTUYAMASA-N. The full InChI is InChI=1S/C4H9NO3.C3H7NO3/c1-2(6)3(5)4(7)8;4-2(1-5)3(6)7/h2-3,6H,5H2,1H3,(H,7,8);2,5H,1,4H2,(H,6,7)/t2-,3+;2-/m01/s1.
What are the key properties of (2R,3S)-2-amino-3-hydroxybutanoic acid;(2R)-2-amino-3-hydroxypropanoic acid?
(2R,3S)-2-amino-3-hydroxybutanoic acid;(2R)-2-amino-3-hydroxypropanoic acid has a molecular weight of 224.21 g/mol, XLogP of -2.83, 4 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-amino-3-hydroxybutanoic acid;(2R)-2-amino-3-hydroxypropanoic acid is sourced from PubChem (CID 87257146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).