methyl 4-amino-3-hydroxybutanoate

C5H11NO3 — CID 23138011

IUPACmethyl 4-amino-3-hydroxybutanoate
SMILESCOC(=O)CC(O)CN
InChIInChI=1S/C5H11NO3/c1-9-5(8)2-4(7)3-6/h4,7H,2-3,6H2,1H3
InChIKeyQUTSKIWJUHDULC-UHFFFAOYSA-N
MW133.15 g/mol
LogP-1.13
Rot. Bonds3

About methyl 4-amino-3-hydroxybutanoate

methyl 4-amino-3-hydroxybutanoate (PubChem CID 23138011) has the molecular formula C5H11NO3 and a molecular weight of 133.15 g/mol. Its IUPAC name is methyl 4-amino-3-hydroxybutanoate.

Molecular Properties

Compound Namemethyl 4-amino-3-hydroxybutanoate
PubChem CID23138011
Molecular FormulaC5H11NO3
Molecular Weight133.15 g/mol
Exact Mass133.07
IUPAC Namemethyl 4-amino-3-hydroxybutanoate
SMILESCOC(=O)CC(O)CN
InChIInChI=1S/C5H11NO3/c1-9-5(8)2-4(7)3-6/h4,7H,2-3,6H2,1H3
InChIKeyQUTSKIWJUHDULC-UHFFFAOYSA-N
XLogP-1.13
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.15
LogP ≤ 5-1.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-3-hydroxybutanoate?
The IUPAC name of methyl 4-amino-3-hydroxybutanoate (CID 23138011) is methyl 4-amino-3-hydroxybutanoate.
What is the SMILES notation for methyl 4-amino-3-hydroxybutanoate?
The canonical SMILES for methyl 4-amino-3-hydroxybutanoate is COC(=O)CC(O)CN.
What is the InChIKey of methyl 4-amino-3-hydroxybutanoate?
The InChIKey is QUTSKIWJUHDULC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO3/c1-9-5(8)2-4(7)3-6/h4,7H,2-3,6H2,1H3.
What are the key properties of methyl 4-amino-3-hydroxybutanoate?
methyl 4-amino-3-hydroxybutanoate has a molecular weight of 133.15 g/mol, XLogP of -1.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-3-hydroxybutanoate is sourced from PubChem (CID 23138011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).