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

C7H13NO4 — CID 92981459

IUPACmethyl (2R,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-INEUFUBQSA-N
MW175.18 g/mol
LogP-0.96
Rot. Bonds3

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

methyl (2R,3R)-2-acetamido-3-hydroxybutanoate (PubChem CID 92981459) has the molecular formula C7H13NO4 and a molecular weight of 175.18 g/mol. Its IUPAC name is methyl (2R,3R)-2-acetamido-3-hydroxybutanoate.

Molecular Properties

Compound Namemethyl (2R,3R)-2-acetamido-3-hydroxybutanoate
PubChem CID92981459
Molecular FormulaC7H13NO4
Molecular Weight175.18 g/mol
Exact Mass175.08
IUPAC Namemethyl (2R,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-INEUFUBQSA-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 (2R,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

Related Compounds

methyl (2S,3S)-2-acetamido-3-hydroxy-4-methylpentanoate
CID 11367693
methyl (2S,3R)-3-hydroxy-2-(methylamino)butanoate
CID 11615188
(2R,3S)-2-acetamido-3-hydroxybutanoic acid
CID 11062687
methyl (2R)-2-acetamidopropanoate
CID 6951031
(2S)-2-acetamido-3-hydroxy-N-methylbutanamide
CID 130699535
methyl (2S,3S)-2-acetamido-3-methylsulfonyloxybutanoate
CID 10848476
2-acetamido-3-hydroxybutanoic acid;2-aminoacetic acid
CID 138543857
2-O-ethyl 1-O,1-O-dimethyl 2-acetamidoethane-1,1,2-tricarboxylate
CID 134999943
methyl (2S,3S)-2-[(3,5-dichlorobenzoyl)amino]-3-hydroxybutanoate
CID 124571933
methyl (2S,3R)-3-hydroxy-2-[(4-methoxybenzoyl)amino]butanoate
CID 11230931
methyl 2-[(3,5-dimethoxybenzoyl)amino]-3-hydroxybutanoate
CID 85159268
dimethyl (2R,3S)-2-acetamido-3-azidobutanedioate
CID 10490460

Frequently Asked Questions

What is the IUPAC name of methyl (2R,3R)-2-acetamido-3-hydroxybutanoate?
The IUPAC name of methyl (2R,3R)-2-acetamido-3-hydroxybutanoate (CID 92981459) is methyl (2R,3R)-2-acetamido-3-hydroxybutanoate.
What is the SMILES notation for methyl (2R,3R)-2-acetamido-3-hydroxybutanoate?
The canonical SMILES for methyl (2R,3R)-2-acetamido-3-hydroxybutanoate is COC(=O)[C@H](NC(C)=O)[C@@H](C)O.
What is the InChIKey of methyl (2R,3R)-2-acetamido-3-hydroxybutanoate?
The InChIKey is ZUINDAYECPXXNP-INEUFUBQSA-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 (2R,3R)-2-acetamido-3-hydroxybutanoate?
methyl (2R,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 (2R,3R)-2-acetamido-3-hydroxybutanoate is sourced from PubChem (CID 92981459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).