5-[[2-(dimethylamino)-2-methylpropyl]amino]furan-2-carboxylic acid

C11H18N2O3 — CID 62204256

IUPAC5-[[2-(dimethylamino)-2-methylpropyl]amino]furan-2-carboxylic acid
SMILESCN(C)C(C)(C)CNc1ccc(C(=O)O)o1
InChIInChI=1S/C11H18N2O3/c1-11(2,13(3)4)7-12-9-6-5-8(16-9)10(14)15/h5-6,12H,7H2,1-4H3,(H,14,15)
InChIKeyWSXHPGRYGQAKRU-UHFFFAOYSA-N
MW226.28 g/mol
LogP1.73
Rot. Bonds5

About 5-[[2-(dimethylamino)-2-methylpropyl]amino]furan-2-carboxylic acid

5-[[2-(dimethylamino)-2-methylpropyl]amino]furan-2-carboxylic acid (PubChem CID 62204256) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 5-[[2-(dimethylamino)-2-methylpropyl]amino]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[[2-(dimethylamino)-2-methylpropyl]amino]furan-2-carboxylic acid
PubChem CID62204256
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name5-[[2-(dimethylamino)-2-methylpropyl]amino]furan-2-carboxylic acid
SMILESCN(C)C(C)(C)CNc1ccc(C(=O)O)o1
InChIInChI=1S/C11H18N2O3/c1-11(2,13(3)4)7-12-9-6-5-8(16-9)10(14)15/h5-6,12H,7H2,1-4H3,(H,14,15)
InChIKeyWSXHPGRYGQAKRU-UHFFFAOYSA-N
XLogP1.73
TPSA65.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[[2-(dimethylamino)-2-methylpropyl]amino]furan-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(2-methyl-2-thiophen-2-ylpropyl)amino]furan-2-carboxylic acid
CID 80528245
5-(3,3,3-trifluoropropylamino)furan-2-carboxylic acid
CID 63228123
5-[(2-methyl-1-phenylpropan-2-yl)amino]furan-2-carboxylic acid
CID 113360552
5-[(4-bromophenyl)methylamino]furan-2-carboxylic acid
CID 62206358
5-[(3-amino-2-hydroxy-3-oxopropyl)amino]furan-2-carboxylic acid
CID 106177280
5-(pyridin-4-ylmethylamino)furan-2-carboxylic acid
CID 62205130
5-(3-methylpent-1-yn-3-ylamino)furan-2-carboxylic acid
CID 131111101
5-[bis(2-methylpropyl)amino]furan-2-carboxylic acid
CID 62206901
5-[(3,4-difluorophenyl)methylamino]furan-2-carboxylic acid
CID 62206208
5-(6-methylheptan-2-ylamino)furan-2-carboxylic acid
CID 62205856
5-(1,2-oxazol-3-ylmethylamino)furan-2-carboxylic acid
CID 81177327
5-(4-methylpentan-2-ylamino)furan-2-carboxylic acid
CID 62204950

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(dimethylamino)-2-methylpropyl]amino]furan-2-carboxylic acid?
The IUPAC name of 5-[[2-(dimethylamino)-2-methylpropyl]amino]furan-2-carboxylic acid (CID 62204256) is 5-[[2-(dimethylamino)-2-methylpropyl]amino]furan-2-carboxylic acid.
What is the SMILES notation for 5-[[2-(dimethylamino)-2-methylpropyl]amino]furan-2-carboxylic acid?
The canonical SMILES for 5-[[2-(dimethylamino)-2-methylpropyl]amino]furan-2-carboxylic acid is CN(C)C(C)(C)CNc1ccc(C(=O)O)o1.
What is the InChIKey of 5-[[2-(dimethylamino)-2-methylpropyl]amino]furan-2-carboxylic acid?
The InChIKey is WSXHPGRYGQAKRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-11(2,13(3)4)7-12-9-6-5-8(16-9)10(14)15/h5-6,12H,7H2,1-4H3,(H,14,15).
What are the key properties of 5-[[2-(dimethylamino)-2-methylpropyl]amino]furan-2-carboxylic acid?
5-[[2-(dimethylamino)-2-methylpropyl]amino]furan-2-carboxylic acid has a molecular weight of 226.28 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(dimethylamino)-2-methylpropyl]amino]furan-2-carboxylic acid is sourced from PubChem (CID 62204256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).