5-[(2-methyl-1-phenylpropan-2-yl)amino]furan-2-carboxylic acid

C15H17NO3 — CID 113360552

IUPAC5-[(2-methyl-1-phenylpropan-2-yl)amino]furan-2-carboxylic acid
SMILESCC(C)(Cc1ccccc1)Nc1ccc(C(=O)O)o1
InChIInChI=1S/C15H17NO3/c1-15(2,10-11-6-4-3-5-7-11)16-13-9-8-12(19-13)14(17)18/h3-9,16H,10H2,1-2H3,(H,17,18)
InChIKeyYJOAZCXKVWITJN-UHFFFAOYSA-N
MW259.31 g/mol
LogP3.41
Rot. Bonds5

About 5-[(2-methyl-1-phenylpropan-2-yl)amino]furan-2-carboxylic acid

5-[(2-methyl-1-phenylpropan-2-yl)amino]furan-2-carboxylic acid (PubChem CID 113360552) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is 5-[(2-methyl-1-phenylpropan-2-yl)amino]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[(2-methyl-1-phenylpropan-2-yl)amino]furan-2-carboxylic acid
PubChem CID113360552
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Name5-[(2-methyl-1-phenylpropan-2-yl)amino]furan-2-carboxylic acid
SMILESCC(C)(Cc1ccccc1)Nc1ccc(C(=O)O)o1
InChIInChI=1S/C15H17NO3/c1-15(2,10-11-6-4-3-5-7-11)16-13-9-8-12(19-13)14(17)18/h3-9,16H,10H2,1-2H3,(H,17,18)
InChIKeyYJOAZCXKVWITJN-UHFFFAOYSA-N
XLogP3.41
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3-methylpent-1-yn-3-ylamino)furan-2-carboxylic acid
CID 131111101
5-[[2-(dimethylamino)-2-methylpropyl]amino]furan-2-carboxylic acid
CID 62204256
2,2-dimethyl-N-(2-methyl-1-phenylpropan-2-yl)propanamide
CID 56921353
5-(pyridin-2-ylmethylamino)furan-2-carboxylic acid
CID 62205127
1-butan-2-yl-3-(2-methyl-1-phenylpropan-2-yl)urea
CID 110628349
5-(4-hydroxybutan-2-ylamino)furan-2-carboxylic acid
CID 83176620
5-[(3-amino-2-hydroxy-3-oxopropyl)amino]furan-2-carboxylic acid
CID 106177280
5-(3,3,3-trifluoropropylamino)furan-2-carboxylic acid
CID 63228123
5-[(2-methyl-2-thiophen-2-ylpropyl)amino]furan-2-carboxylic acid
CID 80528245
5-(naphthalen-1-ylmethylamino)furan-2-carboxylic acid
CID 62369627
2-chloro-N-(2-methyl-1-phenylpropan-2-yl)acetamide
CID 2784737
(2-methyl-1-oxo-3-phenylpropan-2-yl)carbamic acid
CID 87612069

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methyl-1-phenylpropan-2-yl)amino]furan-2-carboxylic acid?
The IUPAC name of 5-[(2-methyl-1-phenylpropan-2-yl)amino]furan-2-carboxylic acid (CID 113360552) is 5-[(2-methyl-1-phenylpropan-2-yl)amino]furan-2-carboxylic acid.
What is the SMILES notation for 5-[(2-methyl-1-phenylpropan-2-yl)amino]furan-2-carboxylic acid?
The canonical SMILES for 5-[(2-methyl-1-phenylpropan-2-yl)amino]furan-2-carboxylic acid is CC(C)(Cc1ccccc1)Nc1ccc(C(=O)O)o1.
What is the InChIKey of 5-[(2-methyl-1-phenylpropan-2-yl)amino]furan-2-carboxylic acid?
The InChIKey is YJOAZCXKVWITJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-15(2,10-11-6-4-3-5-7-11)16-13-9-8-12(19-13)14(17)18/h3-9,16H,10H2,1-2H3,(H,17,18).
What are the key properties of 5-[(2-methyl-1-phenylpropan-2-yl)amino]furan-2-carboxylic acid?
5-[(2-methyl-1-phenylpropan-2-yl)amino]furan-2-carboxylic acid has a molecular weight of 259.31 g/mol, XLogP of 3.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methyl-1-phenylpropan-2-yl)amino]furan-2-carboxylic acid is sourced from PubChem (CID 113360552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).