(-)-2-Aminobutyric acid

C4H9NO2 — CID 80283

IUPAC(2S)-2-aminobutanoic acid
SMILESCC[C@@H](C(=O)O)N
InChIInChI=1S/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1
InChIKeyQWCKQJZIFLGMSD-VKHMYHEASA-N
MW103.12 g/mol
LogP-2.50
Rot. Bonds2

About (-)-2-Aminobutyric acid

(-)-2-Aminobutyric acid (PubChem CID 80283) has the molecular formula C4H9NO2 and a molecular weight of 103.12 g/mol. Its IUPAC name is (2S)-2-aminobutanoic acid.

Molecular Properties

Compound Name(-)-2-Aminobutyric acid
PubChem CID80283
Molecular FormulaC4H9NO2
Molecular Weight103.12 g/mol
Exact Mass103.06
IUPAC Name(2S)-2-aminobutanoic acid
SMILESCC[C@@H](C(=O)O)N
InChIInChI=1S/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1
InChIKeyQWCKQJZIFLGMSD-VKHMYHEASA-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
DL-valine
CID 1182
2,4-Diaminobutyric acid
CID 470
L-2,4-Diaminobutyric acid
CID 134490
D-Alpha-aminobutyric acid
CID 439691
Beta-Aminobutyric Acid
CID 10932

Frequently Asked Questions

What is the IUPAC name of (-)-2-Aminobutyric acid?
The IUPAC name of (-)-2-Aminobutyric acid (CID 80283) is (2S)-2-aminobutanoic acid.
What is the SMILES notation for (-)-2-Aminobutyric acid?
The canonical SMILES for (-)-2-Aminobutyric acid is CC[C@@H](C(=O)O)N.
What is the InChIKey of (-)-2-Aminobutyric acid?
The InChIKey is QWCKQJZIFLGMSD-VKHMYHEASA-N. The full InChI is InChI=1S/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1.
What are the key properties of (-)-2-Aminobutyric acid?
(-)-2-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 (-)-2-Aminobutyric acid is sourced from PubChem (CID 80283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).