3-(propylamino)butanoic acid

C7H15NO2 — CID 14037271

IUPAC3-(propylamino)butanoic acid
SMILESCCCNC(C)CC(=O)O
InChIInChI=1S/C7H15NO2/c1-3-4-8-6(2)5-7(9)10/h6,8H,3-5H2,1-2H3,(H,9,10)
InChIKeyQDXRYVYOMFWKRX-UHFFFAOYSA-N
MW145.20 g/mol
LogP0.85
Rot. Bonds5

About 3-(propylamino)butanoic acid

3-(propylamino)butanoic acid (PubChem CID 14037271) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is 3-(propylamino)butanoic acid.

Molecular Properties

Compound Name3-(propylamino)butanoic acid
PubChem CID14037271
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Name3-(propylamino)butanoic acid
SMILESCCCNC(C)CC(=O)O
InChIInChI=1S/C7H15NO2/c1-3-4-8-6(2)5-7(9)10/h6,8H,3-5H2,1-2H3,(H,9,10)
InChIKeyQDXRYVYOMFWKRX-UHFFFAOYSA-N
XLogP0.85
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(propylamino)butanoic acid?
The IUPAC name of 3-(propylamino)butanoic acid (CID 14037271) is 3-(propylamino)butanoic acid.
What is the SMILES notation for 3-(propylamino)butanoic acid?
The canonical SMILES for 3-(propylamino)butanoic acid is CCCNC(C)CC(=O)O.
What is the InChIKey of 3-(propylamino)butanoic acid?
The InChIKey is QDXRYVYOMFWKRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2/c1-3-4-8-6(2)5-7(9)10/h6,8H,3-5H2,1-2H3,(H,9,10).
What are the key properties of 3-(propylamino)butanoic acid?
3-(propylamino)butanoic acid has a molecular weight of 145.20 g/mol, XLogP of 0.85, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(propylamino)butanoic acid is sourced from PubChem (CID 14037271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).