3-(ethylamino)butanoic acid

C6H13NO2 — CID 20591962

IUPAC3-(ethylamino)butanoic acid
SMILESCCNC(C)CC(=O)O
InChIInChI=1S/C6H13NO2/c1-3-7-5(2)4-6(8)9/h5,7H,3-4H2,1-2H3,(H,8,9)
InChIKeyNKDCZZABOMHICR-UHFFFAOYSA-N
MW131.18 g/mol
LogP0.46
Rot. Bonds4

About 3-(ethylamino)butanoic acid

3-(ethylamino)butanoic acid (PubChem CID 20591962) has the molecular formula C6H13NO2 and a molecular weight of 131.18 g/mol. Its IUPAC name is 3-(ethylamino)butanoic acid.

Molecular Properties

Compound Name3-(ethylamino)butanoic acid
PubChem CID20591962
Molecular FormulaC6H13NO2
Molecular Weight131.18 g/mol
Exact Mass131.09
IUPAC Name3-(ethylamino)butanoic acid
SMILESCCNC(C)CC(=O)O
InChIInChI=1S/C6H13NO2/c1-3-7-5(2)4-6(8)9/h5,7H,3-4H2,1-2H3,(H,8,9)
InChIKeyNKDCZZABOMHICR-UHFFFAOYSA-N
XLogP0.46
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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

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Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)butanoic acid?
The IUPAC name of 3-(ethylamino)butanoic acid (CID 20591962) is 3-(ethylamino)butanoic acid.
What is the SMILES notation for 3-(ethylamino)butanoic acid?
The canonical SMILES for 3-(ethylamino)butanoic acid is CCNC(C)CC(=O)O.
What is the InChIKey of 3-(ethylamino)butanoic acid?
The InChIKey is NKDCZZABOMHICR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2/c1-3-7-5(2)4-6(8)9/h5,7H,3-4H2,1-2H3,(H,8,9).
What are the key properties of 3-(ethylamino)butanoic acid?
3-(ethylamino)butanoic acid has a molecular weight of 131.18 g/mol, XLogP of 0.46, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)butanoic acid is sourced from PubChem (CID 20591962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).