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

C6H12N2O3 — CID 91622372

IUPAC(2S,3R)-2-acetamido-3-hydroxybutanamide
SMILESCC(=O)N[C@H](C(N)=O)[C@@H](C)O
InChIInChI=1S/C6H12N2O3/c1-3(9)5(6(7)11)8-4(2)10/h3,5,9H,1-2H3,(H2,7,11)(H,8,10)/t3-,5+/m1/s1
InChIKeyAPGCJAUAUXZOPI-WUJLRWPWSA-N
MW160.17 g/mol
LogP-1.64
Rot. Bonds3

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

(2S,3R)-2-acetamido-3-hydroxybutanamide (PubChem CID 91622372) has the molecular formula C6H12N2O3 and a molecular weight of 160.17 g/mol. Its IUPAC name is (2S,3R)-2-acetamido-3-hydroxybutanamide.

Molecular Properties

Compound Name(2S,3R)-2-acetamido-3-hydroxybutanamide
PubChem CID91622372
Molecular FormulaC6H12N2O3
Molecular Weight160.17 g/mol
Exact Mass160.08
IUPAC Name(2S,3R)-2-acetamido-3-hydroxybutanamide
SMILESCC(=O)N[C@H](C(N)=O)[C@@H](C)O
InChIInChI=1S/C6H12N2O3/c1-3(9)5(6(7)11)8-4(2)10/h3,5,9H,1-2H3,(H2,7,11)(H,8,10)/t3-,5+/m1/s1
InChIKeyAPGCJAUAUXZOPI-WUJLRWPWSA-N
XLogP-1.64
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 5-1.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-acetamido-3-hydroxybutanamide?
The IUPAC name of (2S,3R)-2-acetamido-3-hydroxybutanamide (CID 91622372) is (2S,3R)-2-acetamido-3-hydroxybutanamide.
What is the SMILES notation for (2S,3R)-2-acetamido-3-hydroxybutanamide?
The canonical SMILES for (2S,3R)-2-acetamido-3-hydroxybutanamide is CC(=O)N[C@H](C(N)=O)[C@@H](C)O.
What is the InChIKey of (2S,3R)-2-acetamido-3-hydroxybutanamide?
The InChIKey is APGCJAUAUXZOPI-WUJLRWPWSA-N. The full InChI is InChI=1S/C6H12N2O3/c1-3(9)5(6(7)11)8-4(2)10/h3,5,9H,1-2H3,(H2,7,11)(H,8,10)/t3-,5+/m1/s1.
What are the key properties of (2S,3R)-2-acetamido-3-hydroxybutanamide?
(2S,3R)-2-acetamido-3-hydroxybutanamide has a molecular weight of 160.17 g/mol, XLogP of -1.64, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-acetamido-3-hydroxybutanamide is sourced from PubChem (CID 91622372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).