3-[[3-(phenoxymethyl)furan-2-carbonyl]amino]butanoic acid

C16H17NO5 — CID 119220829

IUPAC3-[[3-(phenoxymethyl)furan-2-carbonyl]amino]butanoic acid
SMILESCC(CC(=O)O)NC(=O)c1occc1COc1ccccc1
InChIInChI=1S/C16H17NO5/c1-11(9-14(18)19)17-16(20)15-12(7-8-21-15)10-22-13-5-3-2-4-6-13/h2-8,11H,9-10H2,1H3,(H,17,20)(H,18,19)
InChIKeyHVAAWLDWTTXVNC-UHFFFAOYSA-N
MW303.31 g/mol
LogP2.45
Rot. Bonds7

About 3-[[3-(phenoxymethyl)furan-2-carbonyl]amino]butanoic acid

3-[[3-(phenoxymethyl)furan-2-carbonyl]amino]butanoic acid (PubChem CID 119220829) has the molecular formula C16H17NO5 and a molecular weight of 303.31 g/mol. Its IUPAC name is 3-[[3-(phenoxymethyl)furan-2-carbonyl]amino]butanoic acid.

Molecular Properties

Compound Name3-[[3-(phenoxymethyl)furan-2-carbonyl]amino]butanoic acid
PubChem CID119220829
Molecular FormulaC16H17NO5
Molecular Weight303.31 g/mol
Exact Mass303.11
IUPAC Name3-[[3-(phenoxymethyl)furan-2-carbonyl]amino]butanoic acid
SMILESCC(CC(=O)O)NC(=O)c1occc1COc1ccccc1
InChIInChI=1S/C16H17NO5/c1-11(9-14(18)19)17-16(20)15-12(7-8-21-15)10-22-13-5-3-2-4-6-13/h2-8,11H,9-10H2,1H3,(H,17,20)(H,18,19)
InChIKeyHVAAWLDWTTXVNC-UHFFFAOYSA-N
XLogP2.45
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.31
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[[3-(phenoxymethyl)furan-2-carbonyl]amino]butanoic 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

N-(1-hydroxypropan-2-yl)-3-(phenoxymethyl)furan-2-carboxamide
CID 78856715
N-[2-(methylamino)propyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 120832904
N-(2-methoxyethyl)-3-(phenoxymethyl)furan-2-carboxamide
CID 51304876
N-[1-(3-chlorophenyl)ethyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 46689440
N-ethoxy-3-(phenoxymethyl)furan-2-carboxamide
CID 30690709
3-(phenoxymethyl)-N-[1-[4-(propanoylamino)phenyl]ethyl]furan-2-carboxamide
CID 46432860
N-[2-(methylamino)ethyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 119503301
N-[2-(diethylamino)-2-oxoethyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 47079474
3-(phenoxymethyl)-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]furan-2-carboxamide
CID 30832733
2-[methyl-[3-(phenoxymethyl)furan-2-carbonyl]amino]propanoic acid
CID 119359087
N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 51123477
N-(2-hydroxy-2,3-dimethylpentyl)-3-(phenoxymethyl)furan-2-carboxamide
CID 111446659

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(phenoxymethyl)furan-2-carbonyl]amino]butanoic acid?
The IUPAC name of 3-[[3-(phenoxymethyl)furan-2-carbonyl]amino]butanoic acid (CID 119220829) is 3-[[3-(phenoxymethyl)furan-2-carbonyl]amino]butanoic acid.
What is the SMILES notation for 3-[[3-(phenoxymethyl)furan-2-carbonyl]amino]butanoic acid?
The canonical SMILES for 3-[[3-(phenoxymethyl)furan-2-carbonyl]amino]butanoic acid is CC(CC(=O)O)NC(=O)c1occc1COc1ccccc1.
What is the InChIKey of 3-[[3-(phenoxymethyl)furan-2-carbonyl]amino]butanoic acid?
The InChIKey is HVAAWLDWTTXVNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO5/c1-11(9-14(18)19)17-16(20)15-12(7-8-21-15)10-22-13-5-3-2-4-6-13/h2-8,11H,9-10H2,1H3,(H,17,20)(H,18,19).
What are the key properties of 3-[[3-(phenoxymethyl)furan-2-carbonyl]amino]butanoic acid?
3-[[3-(phenoxymethyl)furan-2-carbonyl]amino]butanoic acid has a molecular weight of 303.31 g/mol, XLogP of 2.45, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(phenoxymethyl)furan-2-carbonyl]amino]butanoic acid is sourced from PubChem (CID 119220829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).