2-(5-chlorofuran-2-yl)-3-(cyclobutylamino)propanoic acid

C11H14ClNO3 — CID 117240781

IUPAC2-(5-chlorofuran-2-yl)-3-(cyclobutylamino)propanoic acid
SMILESO=C(O)C(CNC1CCC1)c1ccc(Cl)o1
InChIInChI=1S/C11H14ClNO3/c12-10-5-4-9(16-10)8(11(14)15)6-13-7-2-1-3-7/h4-5,7-8,13H,1-3,6H2,(H,14,15)
InChIKeyYKDIZGUJBADCGE-UHFFFAOYSA-N
MW243.69 g/mol
LogP2.24
Rot. Bonds5

About 2-(5-chlorofuran-2-yl)-3-(cyclobutylamino)propanoic acid

2-(5-chlorofuran-2-yl)-3-(cyclobutylamino)propanoic acid (PubChem CID 117240781) has the molecular formula C11H14ClNO3 and a molecular weight of 243.69 g/mol. Its IUPAC name is 2-(5-chlorofuran-2-yl)-3-(cyclobutylamino)propanoic acid.

Molecular Properties

Compound Name2-(5-chlorofuran-2-yl)-3-(cyclobutylamino)propanoic acid
PubChem CID117240781
Molecular FormulaC11H14ClNO3
Molecular Weight243.69 g/mol
Exact Mass243.07
IUPAC Name2-(5-chlorofuran-2-yl)-3-(cyclobutylamino)propanoic acid
SMILESO=C(O)C(CNC1CCC1)c1ccc(Cl)o1
InChIInChI=1S/C11H14ClNO3/c12-10-5-4-9(16-10)8(11(14)15)6-13-7-2-1-3-7/h4-5,7-8,13H,1-3,6H2,(H,14,15)
InChIKeyYKDIZGUJBADCGE-UHFFFAOYSA-N
XLogP2.24
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(5-chlorofuran-2-yl)-3-(cyclobutylamino)propanoic 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

methyl 2-(5-chlorofuran-2-yl)-3-(cyclobutylamino)propanoate
CID 117240782
2-(2-chlorophenyl)-3-(cyclobutylamino)propanoic acid
CID 117244167
2-(5-chlorofuran-2-yl)-3-(cyclopentylamino)propan-1-ol
CID 117240312
3-(cyclopentylamino)-2-(2-methylphenyl)propanoic acid
CID 117244178
3-(cyclobutylamino)-2-(3-hydroxyphenyl)propanoic acid
CID 117243215
2-(5-chlorofuran-2-yl)-4,4-dimethylpentanoic acid
CID 83823884
3-(cyclopentylamino)-2-[3-(trifluoromethyl)phenyl]propanoic acid
CID 117243219
methyl 3-(cyclopentylamino)-2-phenylpropanoate
CID 64565196
2-(5-bromofuran-2-yl)-3-(cyclobutylamino)propan-1-ol
CID 117240298
2-amino-3-(cyclohexylamino)propanoic acid
CID 64582225
3-[(5-chlorofuran-2-carbonyl)amino]-2-phenylpropanoic acid
CID 62883681
methyl 2-(5-chlorofuran-2-yl)-3-(dimethylamino)propanoate
CID 117240819

Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorofuran-2-yl)-3-(cyclobutylamino)propanoic acid?
The IUPAC name of 2-(5-chlorofuran-2-yl)-3-(cyclobutylamino)propanoic acid (CID 117240781) is 2-(5-chlorofuran-2-yl)-3-(cyclobutylamino)propanoic acid.
What is the SMILES notation for 2-(5-chlorofuran-2-yl)-3-(cyclobutylamino)propanoic acid?
The canonical SMILES for 2-(5-chlorofuran-2-yl)-3-(cyclobutylamino)propanoic acid is O=C(O)C(CNC1CCC1)c1ccc(Cl)o1.
What is the InChIKey of 2-(5-chlorofuran-2-yl)-3-(cyclobutylamino)propanoic acid?
The InChIKey is YKDIZGUJBADCGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO3/c12-10-5-4-9(16-10)8(11(14)15)6-13-7-2-1-3-7/h4-5,7-8,13H,1-3,6H2,(H,14,15).
What are the key properties of 2-(5-chlorofuran-2-yl)-3-(cyclobutylamino)propanoic acid?
2-(5-chlorofuran-2-yl)-3-(cyclobutylamino)propanoic acid has a molecular weight of 243.69 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorofuran-2-yl)-3-(cyclobutylamino)propanoic acid is sourced from PubChem (CID 117240781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).