4-aminobutanoic acid;propanoic acid

C7H15NO4 — CID 86613302

IUPAC4-aminobutanoic acid;propanoic acid
SMILESCCC(=O)O.NCCCC(=O)O
InChIInChI=1S/C4H9NO2.C3H6O2/c5-3-1-2-4(6)7;1-2-3(4)5/h1-3,5H2,(H,6,7);2H2,1H3,(H,4,5)
InChIKeyCITFCNJMBZBVSL-UHFFFAOYSA-N
MW177.20 g/mol
LogP0.29
Rot. Bonds4

About 4-aminobutanoic acid;propanoic acid

4-aminobutanoic acid;propanoic acid (PubChem CID 86613302) has the molecular formula C7H15NO4 and a molecular weight of 177.20 g/mol. Its IUPAC name is 4-aminobutanoic acid;propanoic acid.

Molecular Properties

Compound Name4-aminobutanoic acid;propanoic acid
PubChem CID86613302
Molecular FormulaC7H15NO4
Molecular Weight177.20 g/mol
Exact Mass177.10
IUPAC Name4-aminobutanoic acid;propanoic acid
SMILESCCC(=O)O.NCCCC(=O)O
InChIInChI=1S/C4H9NO2.C3H6O2/c5-3-1-2-4(6)7;1-2-3(4)5/h1-3,5H2,(H,6,7);2H2,1H3,(H,4,5)
InChIKeyCITFCNJMBZBVSL-UHFFFAOYSA-N
XLogP0.29
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 5460232
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CID 70703
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CID 210329
CID 210329
CID 444458
CID 444458
CID 5312968
CID 5312968
CID 12626654
CID 12626654
CID 3539719
CID 3539719
CID 3759025
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CID 12405755
CID 12405755

Frequently Asked Questions

What is the IUPAC name of 4-aminobutanoic acid;propanoic acid?
The IUPAC name of 4-aminobutanoic acid;propanoic acid (CID 86613302) is 4-aminobutanoic acid;propanoic acid.
What is the SMILES notation for 4-aminobutanoic acid;propanoic acid?
The canonical SMILES for 4-aminobutanoic acid;propanoic acid is CCC(=O)O.NCCCC(=O)O.
What is the InChIKey of 4-aminobutanoic acid;propanoic acid?
The InChIKey is CITFCNJMBZBVSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO2.C3H6O2/c5-3-1-2-4(6)7;1-2-3(4)5/h1-3,5H2,(H,6,7);2H2,1H3,(H,4,5).
What are the key properties of 4-aminobutanoic acid;propanoic acid?
4-aminobutanoic acid;propanoic acid has a molecular weight of 177.20 g/mol, XLogP of 0.29, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminobutanoic acid;propanoic acid is sourced from PubChem (CID 86613302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).