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

C5H11NO3 — CID 2724875

IUPAC(2S,3R)-2-amino-3-methoxybutanoic acid
SMILESCO[C@H](C)[C@H](N)C(=O)O
InChIInChI=1S/C5H11NO3/c1-3(9-2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t3-,4+/m1/s1
InChIKeyFYCWLJLGIAUCCL-DMTCNVIQSA-N
MW133.15 g/mol
LogP-0.57
Rot. Bonds3

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

(2S,3R)-2-amino-3-methoxybutanoic acid (PubChem CID 2724875) has the molecular formula C5H11NO3 and a molecular weight of 133.15 g/mol. Its IUPAC name is (2S,3R)-2-amino-3-methoxybutanoic acid.

Molecular Properties

Compound Name(2S,3R)-2-amino-3-methoxybutanoic acid
PubChem CID2724875
Molecular FormulaC5H11NO3
Molecular Weight133.15 g/mol
Exact Mass133.07
IUPAC Name(2S,3R)-2-amino-3-methoxybutanoic acid
SMILESCO[C@H](C)[C@H](N)C(=O)O
InChIInChI=1S/C5H11NO3/c1-3(9-2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t3-,4+/m1/s1
InChIKeyFYCWLJLGIAUCCL-DMTCNVIQSA-N
XLogP-0.57
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.15
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

L-Threonine
CID 6288
2-Amino-3-hydroxybutanoic acid
CID 205
Allothreonine, L-
CID 99289
(2S,3R)-2-ammonio-3-hydroxybutanoate
CID 6971019
D-Threonine
CID 69435
O-Acetyl-L-serine
CID 99478
O-(2-aminoethyl)-L-serine
CID 160555
D-Allothreonine
CID 90624
(2S,3S)-2-azaniumyl-3-hydroxybutanoate
CID 6995276
(3R)-2-amino-3-hydroxybutanoic acid
CID 17757244
Methyl DL-serinate hydrochloride
CID 517373
Threonine, 4-fluoro-
CID 128057

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-amino-3-methoxybutanoic acid?
The IUPAC name of (2S,3R)-2-amino-3-methoxybutanoic acid (CID 2724875) is (2S,3R)-2-amino-3-methoxybutanoic acid.
What is the SMILES notation for (2S,3R)-2-amino-3-methoxybutanoic acid?
The canonical SMILES for (2S,3R)-2-amino-3-methoxybutanoic acid is CO[C@H](C)[C@H](N)C(=O)O.
What is the InChIKey of (2S,3R)-2-amino-3-methoxybutanoic acid?
The InChIKey is FYCWLJLGIAUCCL-DMTCNVIQSA-N. The full InChI is InChI=1S/C5H11NO3/c1-3(9-2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t3-,4+/m1/s1.
What are the key properties of (2S,3R)-2-amino-3-methoxybutanoic acid?
(2S,3R)-2-amino-3-methoxybutanoic acid has a molecular weight of 133.15 g/mol, XLogP of -0.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-amino-3-methoxybutanoic acid is sourced from PubChem (CID 2724875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).