2-[[[(1R)-1-(3-chlorophenyl)ethyl]amino]methyl]furan-3-carboxylic acid

C14H14ClNO3 — CID 103259172

IUPAC2-[[[(1R)-1-(3-chlorophenyl)ethyl]amino]methyl]furan-3-carboxylic acid
SMILESC[C@@H](NCc1occc1C(=O)O)c1cccc(Cl)c1
InChIInChI=1S/C14H14ClNO3/c1-9(10-3-2-4-11(15)7-10)16-8-13-12(14(17)18)5-6-19-13/h2-7,9,16H,8H2,1H3,(H,17,18)/t9-/m1/s1
InChIKeyCZVMJDMBEOSDJF-SECBINFHSA-N
MW279.72 g/mol
LogP3.48
Rot. Bonds5

About 2-[[[(1R)-1-(3-chlorophenyl)ethyl]amino]methyl]furan-3-carboxylic acid

2-[[[(1R)-1-(3-chlorophenyl)ethyl]amino]methyl]furan-3-carboxylic acid (PubChem CID 103259172) has the molecular formula C14H14ClNO3 and a molecular weight of 279.72 g/mol. Its IUPAC name is 2-[[[(1R)-1-(3-chlorophenyl)ethyl]amino]methyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name2-[[[(1R)-1-(3-chlorophenyl)ethyl]amino]methyl]furan-3-carboxylic acid
PubChem CID103259172
Molecular FormulaC14H14ClNO3
Molecular Weight279.72 g/mol
Exact Mass279.07
IUPAC Name2-[[[(1R)-1-(3-chlorophenyl)ethyl]amino]methyl]furan-3-carboxylic acid
SMILESC[C@@H](NCc1occc1C(=O)O)c1cccc(Cl)c1
InChIInChI=1S/C14H14ClNO3/c1-9(10-3-2-4-11(15)7-10)16-8-13-12(14(17)18)5-6-19-13/h2-7,9,16H,8H2,1H3,(H,17,18)/t9-/m1/s1
InChIKeyCZVMJDMBEOSDJF-SECBINFHSA-N
XLogP3.48
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.72
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[[(1S)-1-(3-chlorophenyl)ethyl]amino]methyl]furan-3-carboxylic acid
CID 103259212
2-[[[(1R)-1-(4-chlorophenyl)ethyl]amino]methyl]furan-3-carboxylic acid
CID 103257184
2-[[[(1S)-1-(3-methoxyphenyl)ethyl]amino]methyl]furan-3-carboxylic acid
CID 103258081
2-[[1-(2,4-dichlorophenyl)ethylamino]methyl]furan-3-carboxylic acid
CID 103233958
4-[[[(1R)-1-(3-chlorophenyl)ethyl]amino]methyl]-2-fluorobenzoic acid
CID 106700279
2-[(1-thiophen-3-ylethylamino)methyl]furan-3-carboxylic acid
CID 103249719
4-[[[(1R)-1-(3-chlorophenyl)ethyl]amino]methyl]benzoic acid
CID 81366062
5-[[1-(3-chlorophenyl)ethylamino]methyl]thiophene-2-carboxylic acid
CID 103242506
2-[[1-(5-chlorothiophen-2-yl)ethylamino]methyl]furan-3-carboxylic acid
CID 103243980
5-[[[(1S)-1-(3-chlorophenyl)ethyl]amino]methyl]-1-methylpyrazole-4-carboxylic acid
CID 104891430
2-[(3-propan-2-ylanilino)methyl]furan-3-carboxylic acid
CID 103236549
2-[[(4-hydroxy-3-methylbutan-2-yl)amino]methyl]furan-3-carboxylic acid
CID 103265787

Frequently Asked Questions

What is the IUPAC name of 2-[[[(1R)-1-(3-chlorophenyl)ethyl]amino]methyl]furan-3-carboxylic acid?
The IUPAC name of 2-[[[(1R)-1-(3-chlorophenyl)ethyl]amino]methyl]furan-3-carboxylic acid (CID 103259172) is 2-[[[(1R)-1-(3-chlorophenyl)ethyl]amino]methyl]furan-3-carboxylic acid.
What is the SMILES notation for 2-[[[(1R)-1-(3-chlorophenyl)ethyl]amino]methyl]furan-3-carboxylic acid?
The canonical SMILES for 2-[[[(1R)-1-(3-chlorophenyl)ethyl]amino]methyl]furan-3-carboxylic acid is C[C@@H](NCc1occc1C(=O)O)c1cccc(Cl)c1.
What is the InChIKey of 2-[[[(1R)-1-(3-chlorophenyl)ethyl]amino]methyl]furan-3-carboxylic acid?
The InChIKey is CZVMJDMBEOSDJF-SECBINFHSA-N. The full InChI is InChI=1S/C14H14ClNO3/c1-9(10-3-2-4-11(15)7-10)16-8-13-12(14(17)18)5-6-19-13/h2-7,9,16H,8H2,1H3,(H,17,18)/t9-/m1/s1.
What are the key properties of 2-[[[(1R)-1-(3-chlorophenyl)ethyl]amino]methyl]furan-3-carboxylic acid?
2-[[[(1R)-1-(3-chlorophenyl)ethyl]amino]methyl]furan-3-carboxylic acid has a molecular weight of 279.72 g/mol, XLogP of 3.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[(1R)-1-(3-chlorophenyl)ethyl]amino]methyl]furan-3-carboxylic acid is sourced from PubChem (CID 103259172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).