methyl (2R)-2-aminobutanoate

C5H11NO2 — CID 13283514

IUPACmethyl (2R)-2-aminobutanoate
SMILESCC[C@@H](N)C(=O)OC
InChIInChI=1S/C5H11NO2/c1-3-4(6)5(7)8-2/h4H,3,6H2,1-2H3/t4-/m1/s1
InChIKeyZZWPOYPWQTUZDY-SCSAIBSYSA-N
MW117.15 g/mol
LogP-0.10
Rot. Bonds2

About methyl (2R)-2-aminobutanoate

methyl (2R)-2-aminobutanoate (PubChem CID 13283514) has the molecular formula C5H11NO2 and a molecular weight of 117.15 g/mol. Its IUPAC name is methyl (2R)-2-aminobutanoate.

Molecular Properties

Compound Namemethyl (2R)-2-aminobutanoate
PubChem CID13283514
Molecular FormulaC5H11NO2
Molecular Weight117.15 g/mol
Exact Mass117.08
IUPAC Namemethyl (2R)-2-aminobutanoate
SMILESCC[C@@H](N)C(=O)OC
InChIInChI=1S/C5H11NO2/c1-3-4(6)5(7)8-2/h4H,3,6H2,1-2H3/t4-/m1/s1
InChIKeyZZWPOYPWQTUZDY-SCSAIBSYSA-N
XLogP-0.10
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.15
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-aminobutanoate?
The IUPAC name of methyl (2R)-2-aminobutanoate (CID 13283514) is methyl (2R)-2-aminobutanoate.
What is the SMILES notation for methyl (2R)-2-aminobutanoate?
The canonical SMILES for methyl (2R)-2-aminobutanoate is CC[C@@H](N)C(=O)OC.
What is the InChIKey of methyl (2R)-2-aminobutanoate?
The InChIKey is ZZWPOYPWQTUZDY-SCSAIBSYSA-N. The full InChI is InChI=1S/C5H11NO2/c1-3-4(6)5(7)8-2/h4H,3,6H2,1-2H3/t4-/m1/s1.
What are the key properties of methyl (2R)-2-aminobutanoate?
methyl (2R)-2-aminobutanoate has a molecular weight of 117.15 g/mol, XLogP of -0.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-aminobutanoate is sourced from PubChem (CID 13283514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).