4-(ethylamino)butanoic acid

C6H13NO2 — CID 13082753

IUPAC4-(ethylamino)butanoic acid
SMILESCCNCCCC(=O)O
InChIInChI=1S/C6H13NO2/c1-2-7-5-3-4-6(8)9/h7H,2-5H2,1H3,(H,8,9)
InChIKeyFSCWTVQILXCITB-UHFFFAOYSA-N
MW131.18 g/mol
LogP0.46
Rot. Bonds5

About 4-(ethylamino)butanoic acid

4-(ethylamino)butanoic acid (PubChem CID 13082753) has the molecular formula C6H13NO2 and a molecular weight of 131.18 g/mol. Its IUPAC name is 4-(ethylamino)butanoic acid.

Molecular Properties

Compound Name4-(ethylamino)butanoic acid
PubChem CID13082753
Molecular FormulaC6H13NO2
Molecular Weight131.18 g/mol
Exact Mass131.09
IUPAC Name4-(ethylamino)butanoic acid
SMILESCCNCCCC(=O)O
InChIInChI=1S/C6H13NO2/c1-2-7-5-3-4-6(8)9/h7H,2-5H2,1H3,(H,8,9)
InChIKeyFSCWTVQILXCITB-UHFFFAOYSA-N
XLogP0.46
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Gamma-Aminobutyric Acid
CID 119
4-Acetamidobutyric acid
CID 18189
4-((2-Carboxyethyl)amino)butanoic acid
CID 2572
4-(Methylamino)butyric acid
CID 70703
4-Methylaminobutanoate
CID 1550042
4-(Methylamino)butyric acid hydrochloride
CID 12626654
4-Methylaminobutyrate
CID 9543115
3-(propylcarbamoyl)propanoic Acid
CID 4034758
4-Amino(~2~H_6_)butanoic acid
CID 12405755
4-Amino(2,2-~2~H_2_)butanoic acid
CID 57685050
4-(~15~N)Aminobutanoic acid
CID 71310334
Methyl 4-(methylamino)butanoate
CID 14769104

Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)butanoic acid?
The IUPAC name of 4-(ethylamino)butanoic acid (CID 13082753) is 4-(ethylamino)butanoic acid.
What is the SMILES notation for 4-(ethylamino)butanoic acid?
The canonical SMILES for 4-(ethylamino)butanoic acid is CCNCCCC(=O)O.
What is the InChIKey of 4-(ethylamino)butanoic acid?
The InChIKey is FSCWTVQILXCITB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2/c1-2-7-5-3-4-6(8)9/h7H,2-5H2,1H3,(H,8,9).
What are the key properties of 4-(ethylamino)butanoic acid?
4-(ethylamino)butanoic acid has a molecular weight of 131.18 g/mol, XLogP of 0.46, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)butanoic acid is sourced from PubChem (CID 13082753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).