2-(2-aminobutoxy)butanoic acid

C8H17NO3 — CID 82352925

IUPAC2-(2-aminobutoxy)butanoic acid
SMILESCCC(N)COC(CC)C(=O)O
InChIInChI=1S/C8H17NO3/c1-3-6(9)5-12-7(4-2)8(10)11/h6-7H,3-5,9H2,1-2H3,(H,10,11)
InChIKeyOEHCLOYJNREKNO-UHFFFAOYSA-N
MW175.23 g/mol
LogP0.60
Rot. Bonds6

About 2-(2-aminobutoxy)butanoic acid

2-(2-aminobutoxy)butanoic acid (PubChem CID 82352925) has the molecular formula C8H17NO3 and a molecular weight of 175.23 g/mol. Its IUPAC name is 2-(2-aminobutoxy)butanoic acid.

Molecular Properties

Compound Name2-(2-aminobutoxy)butanoic acid
PubChem CID82352925
Molecular FormulaC8H17NO3
Molecular Weight175.23 g/mol
Exact Mass175.12
IUPAC Name2-(2-aminobutoxy)butanoic acid
SMILESCCC(N)COC(CC)C(=O)O
InChIInChI=1S/C8H17NO3/c1-3-6(9)5-12-7(4-2)8(10)11/h6-7H,3-5,9H2,1-2H3,(H,10,11)
InChIKeyOEHCLOYJNREKNO-UHFFFAOYSA-N
XLogP0.60
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(2-aminobutoxy)butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,3,4,5,6-pentafluorohexoxy)butanoic acid
CID 175318324
(2S)-2-(2-chloroethoxy)butanoic acid
CID 97304350
2-[2-(2-methylpropoxy)ethoxy]butanoic acid
CID 106446603
2-aminobutyl 2-methylpropanoate
CID 123412425
2-(5-aminopentoxy)butanoic acid
CID 82352847
2-[2-(2-methoxyethoxy)ethoxy]butanoic acid
CID 18318696
2-acetyloxybutanoic acid
CID 13327294
2-amino-3-(1-aminopropoxy)propanoic acid
CID 87227256
2-[(1-aminocyclohexyl)methoxy]butanoic acid
CID 106940020
2-phenylmethoxybutanoic acid
CID 11816388
2-(cyclopentylmethoxy)butanoic acid
CID 66324485
2-(2,2-difluoroethoxy)butanamide
CID 82006448

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminobutoxy)butanoic acid?
The IUPAC name of 2-(2-aminobutoxy)butanoic acid (CID 82352925) is 2-(2-aminobutoxy)butanoic acid.
What is the SMILES notation for 2-(2-aminobutoxy)butanoic acid?
The canonical SMILES for 2-(2-aminobutoxy)butanoic acid is CCC(N)COC(CC)C(=O)O.
What is the InChIKey of 2-(2-aminobutoxy)butanoic acid?
The InChIKey is OEHCLOYJNREKNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3/c1-3-6(9)5-12-7(4-2)8(10)11/h6-7H,3-5,9H2,1-2H3,(H,10,11).
What are the key properties of 2-(2-aminobutoxy)butanoic acid?
2-(2-aminobutoxy)butanoic acid has a molecular weight of 175.23 g/mol, XLogP of 0.60, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminobutoxy)butanoic acid is sourced from PubChem (CID 82352925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).