(2R,3R)-4-aminobutane-1,2,3-triol

C4H11NO3 — CID 25150845

IUPAC(2R,3R)-4-aminobutane-1,2,3-triol
SMILESNC[C@@H](O)[C@H](O)CO
InChIInChI=1S/C4H11NO3/c5-1-3(7)4(8)2-6/h3-4,6-8H,1-2,5H2/t3-,4-/m1/s1
InChIKeyWIFPJDJJFUSIFP-QWWZWVQMSA-N
MW121.14 g/mol
LogP-2.34
Rot. Bonds3

About (2R,3R)-4-aminobutane-1,2,3-triol

(2R,3R)-4-aminobutane-1,2,3-triol (PubChem CID 25150845) has the molecular formula C4H11NO3 and a molecular weight of 121.14 g/mol. Its IUPAC name is (2R,3R)-4-aminobutane-1,2,3-triol.

Molecular Properties

Compound Name(2R,3R)-4-aminobutane-1,2,3-triol
PubChem CID25150845
Molecular FormulaC4H11NO3
Molecular Weight121.14 g/mol
Exact Mass121.07
IUPAC Name(2R,3R)-4-aminobutane-1,2,3-triol
SMILESNC[C@@H](O)[C@H](O)CO
InChIInChI=1S/C4H11NO3/c5-1-3(7)4(8)2-6/h3-4,6-8H,1-2,5H2/t3-,4-/m1/s1
InChIKeyWIFPJDJJFUSIFP-QWWZWVQMSA-N
XLogP-2.34
TPSA86.71 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.14
LogP ≤ 5-2.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,3S)-4-aminobutane-1,2,3-triol;carbon dioxide
CID 161425950
(2R,3S,4S,5R)-6-aminohexane-1,2,3,4,5-pentol
CID 22863347
magnesium;(2R,3R,4R,5S)-6-aminohexane-1,2,3,4,5-pentol;hydride
CID 173212793
4-amino-2-sulfanylbutane-1,3-diol
CID 57281625
(2R,3S,4R,6R)-7-amino-5-methylheptane-1,2,3,4,6-pentol
CID 155375199
(2R,3R,4R,5S)-6-aminohexane-1,2,3,4,5-pentol;phosphoric acid
CID 87218150
(2S,3R)-butane-1,2,3,4-tetrol;propane-1,2,3-triol
CID 87640100
butane-1,2,3,4-tetrol;phosphorous acid
CID 139511321
acetic acid;(2R,3S,4R)-5-aminopentane-1,2,3,4-tetrol
CID 46915821
butane;butane-1,2,3,4-tetrol
CID 155273073
CID 175818048
CID 175818048
(2R,3R,4R,5S)-6-aminohexane-1,2,3,4,5-pentol;(2R,3R,4S,5R)-2,3,4,5,6-pentahydroxyhexanoic acid
CID 87972607

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-4-aminobutane-1,2,3-triol?
The IUPAC name of (2R,3R)-4-aminobutane-1,2,3-triol (CID 25150845) is (2R,3R)-4-aminobutane-1,2,3-triol.
What is the SMILES notation for (2R,3R)-4-aminobutane-1,2,3-triol?
The canonical SMILES for (2R,3R)-4-aminobutane-1,2,3-triol is NC[C@@H](O)[C@H](O)CO.
What is the InChIKey of (2R,3R)-4-aminobutane-1,2,3-triol?
The InChIKey is WIFPJDJJFUSIFP-QWWZWVQMSA-N. The full InChI is InChI=1S/C4H11NO3/c5-1-3(7)4(8)2-6/h3-4,6-8H,1-2,5H2/t3-,4-/m1/s1.
What are the key properties of (2R,3R)-4-aminobutane-1,2,3-triol?
(2R,3R)-4-aminobutane-1,2,3-triol has a molecular weight of 121.14 g/mol, XLogP of -2.34, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-4-aminobutane-1,2,3-triol is sourced from PubChem (CID 25150845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).