5-[[[(1R)-1-pyridin-4-ylethyl]amino]methyl]furan-3-carboxylic acid

C13H14N2O3 — CID 113432548

IUPAC5-[[[(1R)-1-pyridin-4-ylethyl]amino]methyl]furan-3-carboxylic acid
SMILESC[C@@H](NCc1cc(C(=O)O)co1)c1ccncc1
InChIInChI=1S/C13H14N2O3/c1-9(10-2-4-14-5-3-10)15-7-12-6-11(8-18-12)13(16)17/h2-6,8-9,15H,7H2,1H3,(H,16,17)/t9-/m1/s1
InChIKeyUKUZAKJATWUYSE-SECBINFHSA-N
MW246.27 g/mol
LogP2.22
Rot. Bonds5

About 5-[[[(1R)-1-pyridin-4-ylethyl]amino]methyl]furan-3-carboxylic acid

5-[[[(1R)-1-pyridin-4-ylethyl]amino]methyl]furan-3-carboxylic acid (PubChem CID 113432548) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is 5-[[[(1R)-1-pyridin-4-ylethyl]amino]methyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name5-[[[(1R)-1-pyridin-4-ylethyl]amino]methyl]furan-3-carboxylic acid
PubChem CID113432548
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name5-[[[(1R)-1-pyridin-4-ylethyl]amino]methyl]furan-3-carboxylic acid
SMILESC[C@@H](NCc1cc(C(=O)O)co1)c1ccncc1
InChIInChI=1S/C13H14N2O3/c1-9(10-2-4-14-5-3-10)15-7-12-6-11(8-18-12)13(16)17/h2-6,8-9,15H,7H2,1H3,(H,16,17)/t9-/m1/s1
InChIKeyUKUZAKJATWUYSE-SECBINFHSA-N
XLogP2.22
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[[[(1R)-1-pyridin-4-ylethyl]amino]methyl]furan-3-carboxylic acid with MolForge

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Related Compounds

5-[[[(1R)-1-pyridin-4-ylethyl]amino]methyl]thiophene-3-carboxylic acid
CID 81405327
3-[[[(1S)-1-pyridin-4-ylethyl]amino]methyl]benzoic acid
CID 103258914
5-[(3,3-dimethylbutan-2-ylamino)methyl]furan-3-carboxylic acid
CID 104827778
5-[[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]furan-3-carboxylic acid
CID 113432461
5-[[1-(2,5-difluorophenyl)ethylamino]methyl]furan-3-carboxylic acid
CID 104608254
4-fluoro-3-[[[(1R)-1-pyridin-4-ylethyl]amino]methyl]benzoic acid
CID 107453139
5-[(1-phenylpropan-2-ylamino)methyl]furan-3-carboxylic acid
CID 104608921
methyl 5-[[[(1R)-1-(4-bromophenyl)ethyl]amino]methyl]furan-3-carboxylate
CID 114987217
5-[[1-(1H-benzimidazol-2-yl)ethylamino]methyl]furan-3-carboxylic acid
CID 104608892
5-[(1-methylsulfonylpropan-2-ylamino)methyl]furan-3-carboxylic acid
CID 104608992
5-[[[(1S)-1-pyridin-4-ylethyl]amino]methyl]thiophene-2-carboxylic acid
CID 103258908
5-(2-methylpropyl)furan-3-carboxylic acid
CID 127020960

Frequently Asked Questions

What is the IUPAC name of 5-[[[(1R)-1-pyridin-4-ylethyl]amino]methyl]furan-3-carboxylic acid?
The IUPAC name of 5-[[[(1R)-1-pyridin-4-ylethyl]amino]methyl]furan-3-carboxylic acid (CID 113432548) is 5-[[[(1R)-1-pyridin-4-ylethyl]amino]methyl]furan-3-carboxylic acid.
What is the SMILES notation for 5-[[[(1R)-1-pyridin-4-ylethyl]amino]methyl]furan-3-carboxylic acid?
The canonical SMILES for 5-[[[(1R)-1-pyridin-4-ylethyl]amino]methyl]furan-3-carboxylic acid is C[C@@H](NCc1cc(C(=O)O)co1)c1ccncc1.
What is the InChIKey of 5-[[[(1R)-1-pyridin-4-ylethyl]amino]methyl]furan-3-carboxylic acid?
The InChIKey is UKUZAKJATWUYSE-SECBINFHSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-9(10-2-4-14-5-3-10)15-7-12-6-11(8-18-12)13(16)17/h2-6,8-9,15H,7H2,1H3,(H,16,17)/t9-/m1/s1.
What are the key properties of 5-[[[(1R)-1-pyridin-4-ylethyl]amino]methyl]furan-3-carboxylic acid?
5-[[[(1R)-1-pyridin-4-ylethyl]amino]methyl]furan-3-carboxylic acid has a molecular weight of 246.27 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[(1R)-1-pyridin-4-ylethyl]amino]methyl]furan-3-carboxylic acid is sourced from PubChem (CID 113432548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).