(2R,3S,4S,5R)-2-(2-aminobutanoyloxy)-3,4,5,6-tetrahydroxyhexanoic acid

C10H19NO8 — CID 87662117

IUPAC(2R,3S,4S,5R)-2-(2-aminobutanoyloxy)-3,4,5,6-tetrahydroxyhexanoic acid
SMILESCCC(N)C(=O)O[C@@H](C(=O)O)[C@@H](O)[C@@H](O)[C@H](O)CO
InChIInChI=1S/C10H19NO8/c1-2-4(11)10(18)19-8(9(16)17)7(15)6(14)5(13)3-12/h4-8,12-15H,2-3,11H2,1H3,(H,16,17)/t4?,5-,6+,7+,8-/m1/s1
InChIKeyWYGHNBHYXQALRL-APUAGWDISA-N
MW281.26 g/mol
LogP-3.20
Rot. Bonds8

About (2R,3S,4S,5R)-2-(2-aminobutanoyloxy)-3,4,5,6-tetrahydroxyhexanoic acid

(2R,3S,4S,5R)-2-(2-aminobutanoyloxy)-3,4,5,6-tetrahydroxyhexanoic acid (PubChem CID 87662117) has the molecular formula C10H19NO8 and a molecular weight of 281.26 g/mol. Its IUPAC name is (2R,3S,4S,5R)-2-(2-aminobutanoyloxy)-3,4,5,6-tetrahydroxyhexanoic acid.

Molecular Properties

Compound Name(2R,3S,4S,5R)-2-(2-aminobutanoyloxy)-3,4,5,6-tetrahydroxyhexanoic acid
PubChem CID87662117
Molecular FormulaC10H19NO8
Molecular Weight281.26 g/mol
Exact Mass281.11
IUPAC Name(2R,3S,4S,5R)-2-(2-aminobutanoyloxy)-3,4,5,6-tetrahydroxyhexanoic acid
SMILESCCC(N)C(=O)O[C@@H](C(=O)O)[C@@H](O)[C@@H](O)[C@H](O)CO
InChIInChI=1S/C10H19NO8/c1-2-4(11)10(18)19-8(9(16)17)7(15)6(14)5(13)3-12/h4-8,12-15H,2-3,11H2,1H3,(H,16,17)/t4?,5-,6+,7+,8-/m1/s1
InChIKeyWYGHNBHYXQALRL-APUAGWDISA-N
XLogP-3.20
TPSA170.54 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.26
LogP ≤ 5-3.20
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

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Related Compounds

(2R,3S,4R,5R)-2-[(2R)-2,6-diaminohexanoyl]oxy-3,4,5,6-tetrahydroxyhexanoic acid
CID 91005369
(2R,3S,4R,5R)-2-acetyloxy-3,4,5,6-tetrahydroxyhexanoic acid
CID 25051954
(2R,3S,4S,5R)-3,4,5,6-tetrahydroxy-2-(2-oxobutanoyloxy)hexanoic acid
CID 87562113
2-(1-aminoethoxy)-3,4,5,6-tetrahydroxyhexanoic acid
CID 87421563
(2R,3R,4R)-3,4,5-trihydroxy-2-[(2S,3R)-2,3,4-trihydroxybutanoyl]oxypentanoic acid
CID 90765048
(2S,3S)-2-amino-3-methylpentanoic acid;(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol
CID 86617048
2-aminopropanoic acid;hexane-1,2,3,4,5,6-hexol
CID 174331247
ethyl (2R,3S,4R,5R)-2-acetyloxy-3,4,5,6-tetrahydroxyhexanoate
CID 118665846
2-amino-3-hydroxybutanoic acid;hexane-1,2,3,4,5,6-hexol
CID 174656695
magnesium;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate;(2R,3S,4R,5R)-3,4,5,6-tetrahydroxy-2-(2-hydroxypropanoyloxy)hexanoate
CID 87519712
(2R,3S,4R,5R)-2-(5-carboxy-3-oxopentanoyl)oxy-3,4,5,6-tetrahydroxyhexanoic acid
CID 91192221
(3S)-3-amino-4-oxo-4-[(2R,3S,4R,5R)-3,4,5,6-tetrahydroxy-1-oxohexan-2-yl]oxybutanoic acid
CID 54323997

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5R)-2-(2-aminobutanoyloxy)-3,4,5,6-tetrahydroxyhexanoic acid?
The IUPAC name of (2R,3S,4S,5R)-2-(2-aminobutanoyloxy)-3,4,5,6-tetrahydroxyhexanoic acid (CID 87662117) is (2R,3S,4S,5R)-2-(2-aminobutanoyloxy)-3,4,5,6-tetrahydroxyhexanoic acid.
What is the SMILES notation for (2R,3S,4S,5R)-2-(2-aminobutanoyloxy)-3,4,5,6-tetrahydroxyhexanoic acid?
The canonical SMILES for (2R,3S,4S,5R)-2-(2-aminobutanoyloxy)-3,4,5,6-tetrahydroxyhexanoic acid is CCC(N)C(=O)O[C@@H](C(=O)O)[C@@H](O)[C@@H](O)[C@H](O)CO.
What is the InChIKey of (2R,3S,4S,5R)-2-(2-aminobutanoyloxy)-3,4,5,6-tetrahydroxyhexanoic acid?
The InChIKey is WYGHNBHYXQALRL-APUAGWDISA-N. The full InChI is InChI=1S/C10H19NO8/c1-2-4(11)10(18)19-8(9(16)17)7(15)6(14)5(13)3-12/h4-8,12-15H,2-3,11H2,1H3,(H,16,17)/t4?,5-,6+,7+,8-/m1/s1.
What are the key properties of (2R,3S,4S,5R)-2-(2-aminobutanoyloxy)-3,4,5,6-tetrahydroxyhexanoic acid?
(2R,3S,4S,5R)-2-(2-aminobutanoyloxy)-3,4,5,6-tetrahydroxyhexanoic acid has a molecular weight of 281.26 g/mol, XLogP of -3.20, 8 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5R)-2-(2-aminobutanoyloxy)-3,4,5,6-tetrahydroxyhexanoic acid is sourced from PubChem (CID 87662117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).