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

C4H9NO3 — CID 6288

💊View drug profile → threonine
IUPAC(2S,3R)-2-amino-3-hydroxybutanoic acid
SMILESC[C@@H](O)[C@H](N)C(=O)O
InChIInChI=1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/t2-,3+/m1/s1
InChIKeyAYFVYJQAPQTCCC-GBXIJSLDSA-N
MW119.12 g/mol
LogP-1.22
Rot. Bonds2

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

(2S,3R)-2-amino-3-hydroxybutanoic acid (PubChem CID 6288) has the molecular formula C4H9NO3 and a molecular weight of 119.12 g/mol. Its IUPAC name is (2S,3R)-2-amino-3-hydroxybutanoic acid.

Molecular Properties

Compound Name(2S,3R)-2-amino-3-hydroxybutanoic acid
PubChem CID6288
Molecular FormulaC4H9NO3
Molecular Weight119.12 g/mol
Exact Mass119.06
IUPAC Name(2S,3R)-2-amino-3-hydroxybutanoic acid
SMILESC[C@@H](O)[C@H](N)C(=O)O
InChIInChI=1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/t2-,3+/m1/s1
InChIKeyAYFVYJQAPQTCCC-GBXIJSLDSA-N
XLogP-1.22
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.12
LogP ≤ 5-1.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

Allothreonine, L-
CID 99289
2-Amino-3-hydroxybutanoic acid
CID 205
(2S,3R)-2-ammonio-3-hydroxybutanoate
CID 6971019
D-Threonine
CID 69435
4-Amino-3-hydroxybutanoic acid
CID 2149
D-Allothreonine
CID 90624
DL-Threonine
CID 17757244
gamma-Amino-beta-hydroxybutyric acid, (-)-
CID 2733883
(2S,3S)-2-ammonio-3-hydroxybutanoate
CID 6995276
(S)-4-Amino-3-hydroxybutanoic acid
CID 6971281
O-Methylthreonine
CID 2724875
3-Hydroxynorvaline
CID 65097

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-amino-3-hydroxybutanoic acid?
The IUPAC name of (2S,3R)-2-amino-3-hydroxybutanoic acid (CID 6288) is (2S,3R)-2-amino-3-hydroxybutanoic acid.
What is the SMILES notation for (2S,3R)-2-amino-3-hydroxybutanoic acid?
The canonical SMILES for (2S,3R)-2-amino-3-hydroxybutanoic acid is C[C@@H](O)[C@H](N)C(=O)O.
What is the InChIKey of (2S,3R)-2-amino-3-hydroxybutanoic acid?
The InChIKey is AYFVYJQAPQTCCC-GBXIJSLDSA-N. The full InChI is InChI=1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/t2-,3+/m1/s1.
What are the key properties of (2S,3R)-2-amino-3-hydroxybutanoic acid?
(2S,3R)-2-amino-3-hydroxybutanoic acid has a molecular weight of 119.12 g/mol, XLogP of -1.22, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-amino-3-hydroxybutanoic acid is sourced from PubChem (CID 6288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).