5-[(2,2,3,3-tetramethylcyclopropyl)amino]furan-2-carboxylic acid

C12H17NO3 — CID 79351175

IUPAC5-[(2,2,3,3-tetramethylcyclopropyl)amino]furan-2-carboxylic acid
SMILESCC1(C)C(Nc2ccc(C(=O)O)o2)C1(C)C
InChIInChI=1S/C12H17NO3/c1-11(2)10(12(11,3)4)13-8-6-5-7(16-8)9(14)15/h5-6,10,13H,1-4H3,(H,14,15)
InChIKeyIQZYUDSYNKLKNA-UHFFFAOYSA-N
MW223.27 g/mol
LogP2.82
Rot. Bonds3

About 5-[(2,2,3,3-tetramethylcyclopropyl)amino]furan-2-carboxylic acid

5-[(2,2,3,3-tetramethylcyclopropyl)amino]furan-2-carboxylic acid (PubChem CID 79351175) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 5-[(2,2,3,3-tetramethylcyclopropyl)amino]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[(2,2,3,3-tetramethylcyclopropyl)amino]furan-2-carboxylic acid
PubChem CID79351175
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name5-[(2,2,3,3-tetramethylcyclopropyl)amino]furan-2-carboxylic acid
SMILESCC1(C)C(Nc2ccc(C(=O)O)o2)C1(C)C
InChIInChI=1S/C12H17NO3/c1-11(2)10(12(11,3)4)13-8-6-5-7(16-8)9(14)15/h5-6,10,13H,1-4H3,(H,14,15)
InChIKeyIQZYUDSYNKLKNA-UHFFFAOYSA-N
XLogP2.82
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(2-methylcyclopropyl)amino]furan-2-carboxylic acid
CID 62409956
5-(cyclohexylamino)furan-2-carboxylic acid
CID 62207046
5-[(2-methylcyclohexyl)amino]furan-2-carboxylic acid
CID 62204413
5-[(1-methylcyclohexyl)amino]furan-2-carboxylic acid
CID 62206034
bis(5-carboxyfuran-2-yl)iodanium
CID 139729150
5-(1-cyclopropylethylamino)furan-2-carboxylic acid
CID 62205847
5-(dicyclopropylmethylamino)furan-2-carboxylic acid
CID 62206725
5-[[1-(methylamino)-1-oxopropan-2-yl]amino]furan-2-carboxylic acid
CID 62205327
5-[(1-methyl-6-oxopiperidin-3-yl)amino]furan-2-carboxylic acid
CID 64669427
furan-2,5-dicarboxylic acid;indigane
CID 174700126
5-(1-bromoethyl)furan-2-carboxylic acid
CID 174249698
5-(4-methylpentan-2-ylamino)furan-2-carboxylic acid
CID 62204950

Frequently Asked Questions

What is the IUPAC name of 5-[(2,2,3,3-tetramethylcyclopropyl)amino]furan-2-carboxylic acid?
The IUPAC name of 5-[(2,2,3,3-tetramethylcyclopropyl)amino]furan-2-carboxylic acid (CID 79351175) is 5-[(2,2,3,3-tetramethylcyclopropyl)amino]furan-2-carboxylic acid.
What is the SMILES notation for 5-[(2,2,3,3-tetramethylcyclopropyl)amino]furan-2-carboxylic acid?
The canonical SMILES for 5-[(2,2,3,3-tetramethylcyclopropyl)amino]furan-2-carboxylic acid is CC1(C)C(Nc2ccc(C(=O)O)o2)C1(C)C.
What is the InChIKey of 5-[(2,2,3,3-tetramethylcyclopropyl)amino]furan-2-carboxylic acid?
The InChIKey is IQZYUDSYNKLKNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-11(2)10(12(11,3)4)13-8-6-5-7(16-8)9(14)15/h5-6,10,13H,1-4H3,(H,14,15).
What are the key properties of 5-[(2,2,3,3-tetramethylcyclopropyl)amino]furan-2-carboxylic acid?
5-[(2,2,3,3-tetramethylcyclopropyl)amino]furan-2-carboxylic acid has a molecular weight of 223.27 g/mol, XLogP of 2.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,2,3,3-tetramethylcyclopropyl)amino]furan-2-carboxylic acid is sourced from PubChem (CID 79351175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).