2-methyl-5-[[[(2S,3R)-3-methyl-2-phenylpentanoyl]amino]methyl]furan-3-carboxylic acid

C19H23NO4 — CID 97191871

IUPAC2-methyl-5-[[[(2S,3R)-3-methyl-2-phenylpentanoyl]amino]methyl]furan-3-carboxylic acid
SMILESCC[C@@H](C)[C@H](C(=O)NCc1cc(C(=O)O)c(C)o1)c1ccccc1
InChIInChI=1S/C19H23NO4/c1-4-12(2)17(14-8-6-5-7-9-14)18(21)20-11-15-10-16(19(22)23)13(3)24-15/h5-10,12,17H,4,11H2,1-3H3,(H,20,21)(H,22,23)/t12-,17+/m1/s1
InChIKeyIORYCVSFYDWOFH-PXAZEXFGSA-N
MW329.40 g/mol
LogP3.73
Rot. Bonds7

About 2-methyl-5-[[[(2S,3R)-3-methyl-2-phenylpentanoyl]amino]methyl]furan-3-carboxylic acid

2-methyl-5-[[[(2S,3R)-3-methyl-2-phenylpentanoyl]amino]methyl]furan-3-carboxylic acid (PubChem CID 97191871) has the molecular formula C19H23NO4 and a molecular weight of 329.40 g/mol. Its IUPAC name is 2-methyl-5-[[[(2S,3R)-3-methyl-2-phenylpentanoyl]amino]methyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name2-methyl-5-[[[(2S,3R)-3-methyl-2-phenylpentanoyl]amino]methyl]furan-3-carboxylic acid
PubChem CID97191871
Molecular FormulaC19H23NO4
Molecular Weight329.40 g/mol
Exact Mass329.16
IUPAC Name2-methyl-5-[[[(2S,3R)-3-methyl-2-phenylpentanoyl]amino]methyl]furan-3-carboxylic acid
SMILESCC[C@@H](C)[C@H](C(=O)NCc1cc(C(=O)O)c(C)o1)c1ccccc1
InChIInChI=1S/C19H23NO4/c1-4-12(2)17(14-8-6-5-7-9-14)18(21)20-11-15-10-16(19(22)23)13(3)24-15/h5-10,12,17H,4,11H2,1-3H3,(H,20,21)(H,22,23)/t12-,17+/m1/s1
InChIKeyIORYCVSFYDWOFH-PXAZEXFGSA-N
XLogP3.73
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-methyl-5-[[[(2S,3R)-3-methyl-2-phenylpentanoyl]amino]methyl]furan-3-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-benzyl-3-methylbutanoyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 119226734
5-[[2-(4-methoxyphenyl)butanoylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 120687189
5-[[2-(1-benzofuran-2-yl)propanoylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 75472197
2-methyl-5-[(4-methylpentanoylamino)methyl]furan-3-carboxylic acid
CID 54907438
5-[[2-(5-bromothiophen-2-yl)propanoylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 119226841
5-[[[(1R)-1-(3-methoxyphenyl)ethyl]amino]methyl]-2-methylfuran-3-carboxylic acid
CID 103258045
2-methyl-5-[[2-(4-methylsulfanylphenoxy)propanoylamino]methyl]furan-3-carboxylic acid
CID 119226845
5-[[[2-(2,6-dimethylphenyl)acetyl]amino]methyl]-2-methylfuran-3-carboxylic acid
CID 120687190
5-[[(2-fluorobenzoyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 61025078
5-[[(2-chlorophenyl)methylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 103232935
5-[[(2-fluorophenyl)carbamoylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 61024174
2-methyl-5-[[3-(2-methylphenyl)propanoylamino]methyl]furan-3-carboxylic acid
CID 119226401

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[[[(2S,3R)-3-methyl-2-phenylpentanoyl]amino]methyl]furan-3-carboxylic acid?
The IUPAC name of 2-methyl-5-[[[(2S,3R)-3-methyl-2-phenylpentanoyl]amino]methyl]furan-3-carboxylic acid (CID 97191871) is 2-methyl-5-[[[(2S,3R)-3-methyl-2-phenylpentanoyl]amino]methyl]furan-3-carboxylic acid.
What is the SMILES notation for 2-methyl-5-[[[(2S,3R)-3-methyl-2-phenylpentanoyl]amino]methyl]furan-3-carboxylic acid?
The canonical SMILES for 2-methyl-5-[[[(2S,3R)-3-methyl-2-phenylpentanoyl]amino]methyl]furan-3-carboxylic acid is CC[C@@H](C)[C@H](C(=O)NCc1cc(C(=O)O)c(C)o1)c1ccccc1.
What is the InChIKey of 2-methyl-5-[[[(2S,3R)-3-methyl-2-phenylpentanoyl]amino]methyl]furan-3-carboxylic acid?
The InChIKey is IORYCVSFYDWOFH-PXAZEXFGSA-N. The full InChI is InChI=1S/C19H23NO4/c1-4-12(2)17(14-8-6-5-7-9-14)18(21)20-11-15-10-16(19(22)23)13(3)24-15/h5-10,12,17H,4,11H2,1-3H3,(H,20,21)(H,22,23)/t12-,17+/m1/s1.
What are the key properties of 2-methyl-5-[[[(2S,3R)-3-methyl-2-phenylpentanoyl]amino]methyl]furan-3-carboxylic acid?
2-methyl-5-[[[(2S,3R)-3-methyl-2-phenylpentanoyl]amino]methyl]furan-3-carboxylic acid has a molecular weight of 329.40 g/mol, XLogP of 3.73, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[[[(2S,3R)-3-methyl-2-phenylpentanoyl]amino]methyl]furan-3-carboxylic acid is sourced from PubChem (CID 97191871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).