5-[(1-ethylpyrrolidin-2-yl)methylamino]furan-2-carboxylic acid

C12H18N2O3 — CID 55050376

IUPAC5-[(1-ethylpyrrolidin-2-yl)methylamino]furan-2-carboxylic acid
SMILESCCN1CCCC1CNc1ccc(C(=O)O)o1
InChIInChI=1S/C12H18N2O3/c1-2-14-7-3-4-9(14)8-13-11-6-5-10(17-11)12(15)16/h5-6,9,13H,2-4,7-8H2,1H3,(H,15,16)
InChIKeyUGWJTHJYYMAQNX-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.87
Rot. Bonds5

About 5-[(1-ethylpyrrolidin-2-yl)methylamino]furan-2-carboxylic acid

5-[(1-ethylpyrrolidin-2-yl)methylamino]furan-2-carboxylic acid (PubChem CID 55050376) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 5-[(1-ethylpyrrolidin-2-yl)methylamino]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[(1-ethylpyrrolidin-2-yl)methylamino]furan-2-carboxylic acid
PubChem CID55050376
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name5-[(1-ethylpyrrolidin-2-yl)methylamino]furan-2-carboxylic acid
SMILESCCN1CCCC1CNc1ccc(C(=O)O)o1
InChIInChI=1S/C12H18N2O3/c1-2-14-7-3-4-9(14)8-13-11-6-5-10(17-11)12(15)16/h5-6,9,13H,2-4,7-8H2,1H3,(H,15,16)
InChIKeyUGWJTHJYYMAQNX-UHFFFAOYSA-N
XLogP1.87
TPSA65.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-2-[(1-ethylpyrrolidin-2-yl)methylamino]pyridine-3-carboxylic acid
CID 63376785
N-benzyl-1-(1-ethylpyrrolidin-2-yl)methanamine;oxalic acid
CID 17053062
4-[(1-ethylpyrrolidin-2-yl)methylamino]-2,3-difluorobenzoic acid
CID 79837693
2-[4-(aminomethyl)phenyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide
CID 63589407
1-benzyl-3-[(1-ethylpyrrolidin-2-yl)methyl]urea
CID 103604163
3-bromo-4-[(1-ethylpyrrolidin-2-yl)methylamino]benzoic acid
CID 82800665
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]furan-2-carboxamide
CID 94017739
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-phenylpropanamide
CID 70678323
N-[(1-ethylpyrrolidin-2-yl)methyl]-3-phenylpropanamide
CID 51073042
(2R)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-phenylpropanamide
CID 98789122
N-[4-[[[(2S)-1-ethylpyrrolidin-2-yl]methylamino]methyl]phenyl]acetamide
CID 51637876
5-[(1-ethylpyrrolidin-2-yl)methylamino]-1,3-thiazole-4-carboxylic acid
CID 64629675

Frequently Asked Questions

What is the IUPAC name of 5-[(1-ethylpyrrolidin-2-yl)methylamino]furan-2-carboxylic acid?
The IUPAC name of 5-[(1-ethylpyrrolidin-2-yl)methylamino]furan-2-carboxylic acid (CID 55050376) is 5-[(1-ethylpyrrolidin-2-yl)methylamino]furan-2-carboxylic acid.
What is the SMILES notation for 5-[(1-ethylpyrrolidin-2-yl)methylamino]furan-2-carboxylic acid?
The canonical SMILES for 5-[(1-ethylpyrrolidin-2-yl)methylamino]furan-2-carboxylic acid is CCN1CCCC1CNc1ccc(C(=O)O)o1.
What is the InChIKey of 5-[(1-ethylpyrrolidin-2-yl)methylamino]furan-2-carboxylic acid?
The InChIKey is UGWJTHJYYMAQNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-2-14-7-3-4-9(14)8-13-11-6-5-10(17-11)12(15)16/h5-6,9,13H,2-4,7-8H2,1H3,(H,15,16).
What are the key properties of 5-[(1-ethylpyrrolidin-2-yl)methylamino]furan-2-carboxylic acid?
5-[(1-ethylpyrrolidin-2-yl)methylamino]furan-2-carboxylic acid has a molecular weight of 238.29 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-ethylpyrrolidin-2-yl)methylamino]furan-2-carboxylic acid is sourced from PubChem (CID 55050376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).