5-[(1-methyl-6-oxopiperidin-3-yl)amino]furan-2-carboxylic acid

C11H14N2O4 — CID 64669427

IUPAC5-[(1-methyl-6-oxopiperidin-3-yl)amino]furan-2-carboxylic acid
SMILESCN1CC(Nc2ccc(C(=O)O)o2)CCC1=O
InChIInChI=1S/C11H14N2O4/c1-13-6-7(2-5-10(13)14)12-9-4-3-8(17-9)11(15)16/h3-4,7,12H,2,5-6H2,1H3,(H,15,16)
InChIKeyMPDZQGCIPBFFGZ-UHFFFAOYSA-N
MW238.24 g/mol
LogP1.01
Rot. Bonds3

About 5-[(1-methyl-6-oxopiperidin-3-yl)amino]furan-2-carboxylic acid

5-[(1-methyl-6-oxopiperidin-3-yl)amino]furan-2-carboxylic acid (PubChem CID 64669427) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is 5-[(1-methyl-6-oxopiperidin-3-yl)amino]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[(1-methyl-6-oxopiperidin-3-yl)amino]furan-2-carboxylic acid
PubChem CID64669427
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name5-[(1-methyl-6-oxopiperidin-3-yl)amino]furan-2-carboxylic acid
SMILESCN1CC(Nc2ccc(C(=O)O)o2)CCC1=O
InChIInChI=1S/C11H14N2O4/c1-13-6-7(2-5-10(13)14)12-9-4-3-8(17-9)11(15)16/h3-4,7,12H,2,5-6H2,1H3,(H,15,16)
InChIKeyMPDZQGCIPBFFGZ-UHFFFAOYSA-N
XLogP1.01
TPSA82.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(cyclohexylamino)furan-2-carboxylic acid
CID 62207046
2-[4-(aminomethyl)phenyl]-N-(1-methyl-6-oxopiperidin-3-yl)acetamide
CID 64656494
2-[(1-methyl-6-oxopiperidin-3-yl)amino]-1,3-thiazole-4-carboxylic acid
CID 80568637
5-[(2-methylcyclopropyl)amino]furan-2-carboxylic acid
CID 62409956
N-[(3R)-1-methyl-6-oxopiperidin-3-yl]-4-(piperidin-1-ylmethyl)benzamide
CID 97196232
4-amino-2-[(1-methyl-6-oxopiperidin-3-yl)amino]benzamide
CID 64654110
6-methyl-4-[(1-methyl-6-oxopiperidin-3-yl)amino]pyridine-3-carboxylic acid
CID 81244789
5-[(2-methylcyclohexyl)amino]furan-2-carboxylic acid
CID 62204413
3-methyl-2-[(1-methyl-6-oxopiperidin-3-yl)amino]butanoic acid
CID 103253002
2,3-dimethyl-4-[(1-methyl-6-oxopiperidin-3-yl)amino]-4-oxobutanoic acid
CID 103498588
1-methyl-5-(3-methylbutan-2-ylamino)piperidin-2-one
CID 64655130
ethyl 5-[[[(3S)-1-methyl-6-oxopiperidin-3-yl]amino]methyl]furan-2-carboxylate
CID 97336586

Frequently Asked Questions

What is the IUPAC name of 5-[(1-methyl-6-oxopiperidin-3-yl)amino]furan-2-carboxylic acid?
The IUPAC name of 5-[(1-methyl-6-oxopiperidin-3-yl)amino]furan-2-carboxylic acid (CID 64669427) is 5-[(1-methyl-6-oxopiperidin-3-yl)amino]furan-2-carboxylic acid.
What is the SMILES notation for 5-[(1-methyl-6-oxopiperidin-3-yl)amino]furan-2-carboxylic acid?
The canonical SMILES for 5-[(1-methyl-6-oxopiperidin-3-yl)amino]furan-2-carboxylic acid is CN1CC(Nc2ccc(C(=O)O)o2)CCC1=O.
What is the InChIKey of 5-[(1-methyl-6-oxopiperidin-3-yl)amino]furan-2-carboxylic acid?
The InChIKey is MPDZQGCIPBFFGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-13-6-7(2-5-10(13)14)12-9-4-3-8(17-9)11(15)16/h3-4,7,12H,2,5-6H2,1H3,(H,15,16).
What are the key properties of 5-[(1-methyl-6-oxopiperidin-3-yl)amino]furan-2-carboxylic acid?
5-[(1-methyl-6-oxopiperidin-3-yl)amino]furan-2-carboxylic acid has a molecular weight of 238.24 g/mol, XLogP of 1.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-methyl-6-oxopiperidin-3-yl)amino]furan-2-carboxylic acid is sourced from PubChem (CID 64669427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).