3-aminobutanoic acid

C4H9NO2 — CID 10932

IUPAC3-aminobutanoic acid
SMILESCC(N)CC(=O)O
InChIInChI=1S/C4H9NO2/c1-3(5)2-4(6)7/h3H,2,5H2,1H3,(H,6,7)
InChIKeyOQEBBZSWEGYTPG-UHFFFAOYSA-N
MW103.12 g/mol
LogP-0.19
Rot. Bonds2

About 3-aminobutanoic acid

3-aminobutanoic acid (PubChem CID 10932) has the molecular formula C4H9NO2 and a molecular weight of 103.12 g/mol. Its IUPAC name is 3-aminobutanoic acid.

Molecular Properties

Compound Name3-aminobutanoic acid
PubChem CID10932
Molecular FormulaC4H9NO2
Molecular Weight103.12 g/mol
Exact Mass103.06
IUPAC Name3-aminobutanoic acid
SMILESCC(N)CC(=O)O
InChIInChI=1S/C4H9NO2/c1-3(5)2-4(6)7/h3H,2,5H2,1H3,(H,6,7)
InChIKeyOQEBBZSWEGYTPG-UHFFFAOYSA-N
XLogP-0.19
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.12
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-aminobutanoic acid?
The IUPAC name of 3-aminobutanoic acid (CID 10932) is 3-aminobutanoic acid.
What is the SMILES notation for 3-aminobutanoic acid?
The canonical SMILES for 3-aminobutanoic acid is CC(N)CC(=O)O.
What is the InChIKey of 3-aminobutanoic acid?
The InChIKey is OQEBBZSWEGYTPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO2/c1-3(5)2-4(6)7/h3H,2,5H2,1H3,(H,6,7).
What are the key properties of 3-aminobutanoic acid?
3-aminobutanoic acid has a molecular weight of 103.12 g/mol, XLogP of -0.19, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminobutanoic acid is sourced from PubChem (CID 10932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).