Alpha-Aminobutyric Acid

C4H9NO2 — CID 6657

IUPAC2-aminobutanoic acid
SMILESCCC(C(=O)O)N
InChIInChI=1S/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)
InChIKeyQWCKQJZIFLGMSD-UHFFFAOYSA-N
MW103.12 g/mol
LogP-2.50
Rot. Bonds2

About Alpha-Aminobutyric Acid

Alpha-Aminobutyric Acid (PubChem CID 6657) has the molecular formula C4H9NO2 and a molecular weight of 103.12 g/mol. Its IUPAC name is 2-aminobutanoic acid.

Molecular Properties

Compound NameAlpha-Aminobutyric Acid
PubChem CID6657
Molecular FormulaC4H9NO2
Molecular Weight103.12 g/mol
Exact Mass103.06
IUPAC Name2-aminobutanoic acid
SMILESCCC(C(=O)O)N
InChIInChI=1S/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)
InChIKeyQWCKQJZIFLGMSD-UHFFFAOYSA-N
XLogP-2.50
TPSA63.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity72

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.12
LogP ≤ 5-2.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

L-Alanine
CID 5950
DL-selenomethionine
CID 15103
L-Valine
CID 6287
Methylselenocysteine
CID 147004
L-Selenomethionine
CID 105024
DL-alanine
CID 602
D-Alanine
CID 71080
(-)-2-Aminobutyric acid
CID 80283
DL-valine
CID 1182
2,4-Diaminobutyric acid
CID 470
L-2,4-Diaminobutyric acid
CID 134490
D-Alpha-aminobutyric acid
CID 439691

Frequently Asked Questions

What is the IUPAC name of Alpha-Aminobutyric Acid?
The IUPAC name of Alpha-Aminobutyric Acid (CID 6657) is 2-aminobutanoic acid.
What is the SMILES notation for Alpha-Aminobutyric Acid?
The canonical SMILES for Alpha-Aminobutyric Acid is CCC(C(=O)O)N.
What is the InChIKey of Alpha-Aminobutyric Acid?
The InChIKey is QWCKQJZIFLGMSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7).
What are the key properties of Alpha-Aminobutyric Acid?
Alpha-Aminobutyric Acid has a molecular weight of 103.12 g/mol, XLogP of -2.50, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for Alpha-Aminobutyric Acid is sourced from PubChem (CID 6657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).