5-[(3-propan-2-yloxypropanoylamino)methyl]furan-2-carboxylic acid

C12H17NO5 — CID 119245773

IUPAC5-[(3-propan-2-yloxypropanoylamino)methyl]furan-2-carboxylic acid
SMILESCC(C)OCCC(=O)NCc1ccc(C(=O)O)o1
InChIInChI=1S/C12H17NO5/c1-8(2)17-6-5-11(14)13-7-9-3-4-10(18-9)12(15)16/h3-4,8H,5-7H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyOKVBSPWHZBKHFW-UHFFFAOYSA-N
MW255.27 g/mol
LogP1.41
Rot. Bonds7

About 5-[(3-propan-2-yloxypropanoylamino)methyl]furan-2-carboxylic acid

5-[(3-propan-2-yloxypropanoylamino)methyl]furan-2-carboxylic acid (PubChem CID 119245773) has the molecular formula C12H17NO5 and a molecular weight of 255.27 g/mol. Its IUPAC name is 5-[(3-propan-2-yloxypropanoylamino)methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[(3-propan-2-yloxypropanoylamino)methyl]furan-2-carboxylic acid
PubChem CID119245773
Molecular FormulaC12H17NO5
Molecular Weight255.27 g/mol
Exact Mass255.11
IUPAC Name5-[(3-propan-2-yloxypropanoylamino)methyl]furan-2-carboxylic acid
SMILESCC(C)OCCC(=O)NCc1ccc(C(=O)O)o1
InChIInChI=1S/C12H17NO5/c1-8(2)17-6-5-11(14)13-7-9-3-4-10(18-9)12(15)16/h3-4,8H,5-7H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyOKVBSPWHZBKHFW-UHFFFAOYSA-N
XLogP1.41
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[(3-propan-2-yloxypropanoylamino)methyl]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-[[[4-oxo-4-(propylamino)butanoyl]amino]methyl]furan-2-carboxylic acid
CID 119246000
5-[[3-(4-ethylphenyl)propanoylamino]methyl]furan-2-carboxylic acid
CID 119246024
5-[[4-(4-methylphenyl)butanoylamino]methyl]furan-2-carboxylic acid
CID 119245690
N-ethyl-4-[(3-propan-2-yloxypropanoylamino)methyl]benzamide
CID 86991595
5-[[[2-(4-propan-2-ylphenyl)sulfanylacetyl]amino]methyl]furan-2-carboxylic acid
CID 119245936
5-[[3-(2-methoxyphenyl)butanoylamino]methyl]furan-2-carboxylic acid
CID 119245970
5-[[4-(2-chlorophenoxy)butanoylamino]methyl]furan-2-carboxylic acid
CID 119245785
5-[[[2-[acetyl(methyl)amino]acetyl]amino]methyl]furan-2-carboxylic acid
CID 79021920
5-[[3-[4-(trifluoromethoxy)phenyl]propanoylamino]methyl]furan-2-carboxylic acid
CID 119246153
N-[(5-methylfuran-2-yl)methyl]-2-propan-2-yloxyacetamide
CID 112605133
5-[[4-(4-acetyl-2-methoxyphenoxy)butanoylamino]methyl]furan-2-carboxylic acid
CID 119245692
5-[[[2-[2-[(2S)-butan-2-yl]phenoxy]acetyl]amino]methyl]furan-2-carboxylic acid
CID 125118561

Frequently Asked Questions

What is the IUPAC name of 5-[(3-propan-2-yloxypropanoylamino)methyl]furan-2-carboxylic acid?
The IUPAC name of 5-[(3-propan-2-yloxypropanoylamino)methyl]furan-2-carboxylic acid (CID 119245773) is 5-[(3-propan-2-yloxypropanoylamino)methyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[(3-propan-2-yloxypropanoylamino)methyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[(3-propan-2-yloxypropanoylamino)methyl]furan-2-carboxylic acid is CC(C)OCCC(=O)NCc1ccc(C(=O)O)o1.
What is the InChIKey of 5-[(3-propan-2-yloxypropanoylamino)methyl]furan-2-carboxylic acid?
The InChIKey is OKVBSPWHZBKHFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO5/c1-8(2)17-6-5-11(14)13-7-9-3-4-10(18-9)12(15)16/h3-4,8H,5-7H2,1-2H3,(H,13,14)(H,15,16).
What are the key properties of 5-[(3-propan-2-yloxypropanoylamino)methyl]furan-2-carboxylic acid?
5-[(3-propan-2-yloxypropanoylamino)methyl]furan-2-carboxylic acid has a molecular weight of 255.27 g/mol, XLogP of 1.41, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-propan-2-yloxypropanoylamino)methyl]furan-2-carboxylic acid is sourced from PubChem (CID 119245773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).