5-[1-[[(1R)-1-(4-chlorophenyl)ethyl]amino]ethyl]furan-2-carboxylic acid

C15H16ClNO3 — CID 103257201

IUPAC5-[1-[[(1R)-1-(4-chlorophenyl)ethyl]amino]ethyl]furan-2-carboxylic acid
SMILESCC(N[C@H](C)c1ccc(Cl)cc1)c1ccc(C(=O)O)o1
InChIInChI=1S/C15H16ClNO3/c1-9(11-3-5-12(16)6-4-11)17-10(2)13-7-8-14(20-13)15(18)19/h3-10,17H,1-2H3,(H,18,19)/t9-,10?/m1/s1
InChIKeyHGLIBBNTGVYERK-YHMJZVADSA-N
MW293.75 g/mol
LogP4.04
Rot. Bonds5

About 5-[1-[[(1R)-1-(4-chlorophenyl)ethyl]amino]ethyl]furan-2-carboxylic acid

5-[1-[[(1R)-1-(4-chlorophenyl)ethyl]amino]ethyl]furan-2-carboxylic acid (PubChem CID 103257201) has the molecular formula C15H16ClNO3 and a molecular weight of 293.75 g/mol. Its IUPAC name is 5-[1-[[(1R)-1-(4-chlorophenyl)ethyl]amino]ethyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[1-[[(1R)-1-(4-chlorophenyl)ethyl]amino]ethyl]furan-2-carboxylic acid
PubChem CID103257201
Molecular FormulaC15H16ClNO3
Molecular Weight293.75 g/mol
Exact Mass293.08
IUPAC Name5-[1-[[(1R)-1-(4-chlorophenyl)ethyl]amino]ethyl]furan-2-carboxylic acid
SMILESCC(N[C@H](C)c1ccc(Cl)cc1)c1ccc(C(=O)O)o1
InChIInChI=1S/C15H16ClNO3/c1-9(11-3-5-12(16)6-4-11)17-10(2)13-7-8-14(20-13)15(18)19/h3-10,17H,1-2H3,(H,18,19)/t9-,10?/m1/s1
InChIKeyHGLIBBNTGVYERK-YHMJZVADSA-N
XLogP4.04
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-[1-[[(1R)-1-(4-chlorophenyl)ethyl]amino]ethyl]furan-2-carboxylic 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

5-[1-(pentan-3-ylamino)ethyl]furan-2-carboxylic acid
CID 103231116
5-[1-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]ethyl]furan-2-carboxylic acid
CID 103258057
5-[1-(2-methylpentan-3-ylamino)ethyl]furan-2-carboxylic acid
CID 103244167
5-(1-bromoethyl)furan-2-carboxylic acid
CID 174249698
5-[1-(5-chloro-2-methoxyanilino)ethyl]furan-2-carboxylic acid
CID 103233651
5-[1-[[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]ethyl]furan-2-carboxylic acid
CID 103262559
5-[[[1-(4-chlorophenyl)-2-methylpropyl]amino]methyl]furan-2-carboxylic acid
CID 63316509
[(1S)-1-(4-chlorophenyl)ethyl]carbamic acid
CID 155021809
N-[1-(4-chlorophenyl)ethyl]-1-(4-propylphenyl)ethanamine
CID 43109909
(1S)-N-[1-(4-chlorophenyl)ethyl]-1-(4-methylphenyl)ethanamine
CID 81355634
5-[1-(1-cyclohexylpropylamino)ethyl]furan-2-carboxylic acid
CID 103249989
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-2-phenylacetic acid
CID 103257236

Frequently Asked Questions

What is the IUPAC name of 5-[1-[[(1R)-1-(4-chlorophenyl)ethyl]amino]ethyl]furan-2-carboxylic acid?
The IUPAC name of 5-[1-[[(1R)-1-(4-chlorophenyl)ethyl]amino]ethyl]furan-2-carboxylic acid (CID 103257201) is 5-[1-[[(1R)-1-(4-chlorophenyl)ethyl]amino]ethyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[1-[[(1R)-1-(4-chlorophenyl)ethyl]amino]ethyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[1-[[(1R)-1-(4-chlorophenyl)ethyl]amino]ethyl]furan-2-carboxylic acid is CC(N[C@H](C)c1ccc(Cl)cc1)c1ccc(C(=O)O)o1.
What is the InChIKey of 5-[1-[[(1R)-1-(4-chlorophenyl)ethyl]amino]ethyl]furan-2-carboxylic acid?
The InChIKey is HGLIBBNTGVYERK-YHMJZVADSA-N. The full InChI is InChI=1S/C15H16ClNO3/c1-9(11-3-5-12(16)6-4-11)17-10(2)13-7-8-14(20-13)15(18)19/h3-10,17H,1-2H3,(H,18,19)/t9-,10?/m1/s1.
What are the key properties of 5-[1-[[(1R)-1-(4-chlorophenyl)ethyl]amino]ethyl]furan-2-carboxylic acid?
5-[1-[[(1R)-1-(4-chlorophenyl)ethyl]amino]ethyl]furan-2-carboxylic acid has a molecular weight of 293.75 g/mol, XLogP of 4.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[[(1R)-1-(4-chlorophenyl)ethyl]amino]ethyl]furan-2-carboxylic acid is sourced from PubChem (CID 103257201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).