(2S,3R)-2-acetamido-3-hydroxybutanoate

C6H10NO4- — CID 7349658

IUPAC(2S,3R)-2-acetamido-3-hydroxybutanoate
SMILESCC(=O)N[C@H](C(=O)[O-])[C@@H](C)O
InChIInChI=1S/C6H11NO4/c1-3(8)5(6(10)11)7-4(2)9/h3,5,8H,1-2H3,(H,7,9)(H,10,11)/p-1/t3-,5+/m1/s1
InChIKeyPEDXUVCGOLSNLQ-WUJLRWPWSA-M
MW160.15 g/mol
LogP-2.38
Rot. Bonds3

About (2S,3R)-2-acetamido-3-hydroxybutanoate

(2S,3R)-2-acetamido-3-hydroxybutanoate (PubChem CID 7349658) has the molecular formula C6H10NO4- and a molecular weight of 160.15 g/mol. Its IUPAC name is (2S,3R)-2-acetamido-3-hydroxybutanoate.

Molecular Properties

Compound Name(2S,3R)-2-acetamido-3-hydroxybutanoate
PubChem CID7349658
Molecular FormulaC6H10NO4-
Molecular Weight160.15 g/mol
Exact Mass160.06
IUPAC Name(2S,3R)-2-acetamido-3-hydroxybutanoate
SMILESCC(=O)N[C@H](C(=O)[O-])[C@@H](C)O
InChIInChI=1S/C6H11NO4/c1-3(8)5(6(10)11)7-4(2)9/h3,5,8H,1-2H3,(H,7,9)(H,10,11)/p-1/t3-,5+/m1/s1
InChIKeyPEDXUVCGOLSNLQ-WUJLRWPWSA-M
XLogP-2.38
TPSA89.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.15
LogP ≤ 5-2.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Acetylserine
CID 65249
Ala-Ser
CID 1549433
N-acetyl-L-threonine
CID 152204
Glycylserine
CID 102466
Alanylthreonine
CID 6427004
N-Acetyl-DL-serine
CID 352294
N-(2-Amino-1-hydroxyethylidene)threonine
CID 351980
Serine, glycyl-
CID 73086
Seryl-alanine
CID 7009579
(2S,3S)-2-{[(2S)-2-azaniumylpropanoyl]amino}-3-hydroxybutanoate
CID 7006473
N-Methyl-L-threonine
CID 7010355
Thr-Ser
CID 7016065

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-acetamido-3-hydroxybutanoate?
The IUPAC name of (2S,3R)-2-acetamido-3-hydroxybutanoate (CID 7349658) is (2S,3R)-2-acetamido-3-hydroxybutanoate.
What is the SMILES notation for (2S,3R)-2-acetamido-3-hydroxybutanoate?
The canonical SMILES for (2S,3R)-2-acetamido-3-hydroxybutanoate is CC(=O)N[C@H](C(=O)[O-])[C@@H](C)O.
What is the InChIKey of (2S,3R)-2-acetamido-3-hydroxybutanoate?
The InChIKey is PEDXUVCGOLSNLQ-WUJLRWPWSA-M. The full InChI is InChI=1S/C6H11NO4/c1-3(8)5(6(10)11)7-4(2)9/h3,5,8H,1-2H3,(H,7,9)(H,10,11)/p-1/t3-,5+/m1/s1.
What are the key properties of (2S,3R)-2-acetamido-3-hydroxybutanoate?
(2S,3R)-2-acetamido-3-hydroxybutanoate has a molecular weight of 160.15 g/mol, XLogP of -2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-acetamido-3-hydroxybutanoate is sourced from PubChem (CID 7349658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).