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

C7H13NO4 — CID 7018826

IUPACmethyl (2S,3R)-2-acetamido-3-hydroxybutanoate
SMILESCOC(=O)[C@@H](NC(C)=O)[C@@H](C)O
InChIInChI=1S/C7H13NO4/c1-4(9)6(7(11)12-3)8-5(2)10/h4,6,9H,1-3H3,(H,8,10)/t4-,6+/m1/s1
InChIKeyZUINDAYECPXXNP-XINAWCOVSA-N
MW175.18 g/mol
LogP-0.96
Rot. Bonds3

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

methyl (2S,3R)-2-acetamido-3-hydroxybutanoate (PubChem CID 7018826) has the molecular formula C7H13NO4 and a molecular weight of 175.18 g/mol. Its IUPAC name is methyl (2S,3R)-2-acetamido-3-hydroxybutanoate.

Molecular Properties

Compound Namemethyl (2S,3R)-2-acetamido-3-hydroxybutanoate
PubChem CID7018826
Molecular FormulaC7H13NO4
Molecular Weight175.18 g/mol
Exact Mass175.08
IUPAC Namemethyl (2S,3R)-2-acetamido-3-hydroxybutanoate
SMILESCOC(=O)[C@@H](NC(C)=O)[C@@H](C)O
InChIInChI=1S/C7H13NO4/c1-4(9)6(7(11)12-3)8-5(2)10/h4,6,9H,1-3H3,(H,8,10)/t4-,6+/m1/s1
InChIKeyZUINDAYECPXXNP-XINAWCOVSA-N
XLogP-0.96
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.18
LogP ≤ 5-0.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl (2S,3R)-2-acetamido-3-hydroxybutanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl (2S,3R)-2-acetamido-3-hydroxybutanoate?
The IUPAC name of methyl (2S,3R)-2-acetamido-3-hydroxybutanoate (CID 7018826) is methyl (2S,3R)-2-acetamido-3-hydroxybutanoate.
What is the SMILES notation for methyl (2S,3R)-2-acetamido-3-hydroxybutanoate?
The canonical SMILES for methyl (2S,3R)-2-acetamido-3-hydroxybutanoate is COC(=O)[C@@H](NC(C)=O)[C@@H](C)O.
What is the InChIKey of methyl (2S,3R)-2-acetamido-3-hydroxybutanoate?
The InChIKey is ZUINDAYECPXXNP-XINAWCOVSA-N. The full InChI is InChI=1S/C7H13NO4/c1-4(9)6(7(11)12-3)8-5(2)10/h4,6,9H,1-3H3,(H,8,10)/t4-,6+/m1/s1.
What are the key properties of methyl (2S,3R)-2-acetamido-3-hydroxybutanoate?
methyl (2S,3R)-2-acetamido-3-hydroxybutanoate has a molecular weight of 175.18 g/mol, XLogP of -0.96, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,3R)-2-acetamido-3-hydroxybutanoate is sourced from PubChem (CID 7018826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).