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

C16H17NO5 — CID 119359087

IUPAC2-[methyl-[3-(phenoxymethyl)furan-2-carbonyl]amino]propanoic acid
SMILESCC(C(=O)O)N(C)C(=O)c1occc1COc1ccccc1
InChIInChI=1S/C16H17NO5/c1-11(16(19)20)17(2)15(18)14-12(8-9-21-14)10-22-13-6-4-3-5-7-13/h3-9,11H,10H2,1-2H3,(H,19,20)
InChIKeyNVLDWXZOZIXNIX-UHFFFAOYSA-N
MW303.31 g/mol
LogP2.40
Rot. Bonds6

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

2-[methyl-[3-(phenoxymethyl)furan-2-carbonyl]amino]propanoic acid (PubChem CID 119359087) has the molecular formula C16H17NO5 and a molecular weight of 303.31 g/mol. Its IUPAC name is 2-[methyl-[3-(phenoxymethyl)furan-2-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[methyl-[3-(phenoxymethyl)furan-2-carbonyl]amino]propanoic acid
PubChem CID119359087
Molecular FormulaC16H17NO5
Molecular Weight303.31 g/mol
Exact Mass303.11
IUPAC Name2-[methyl-[3-(phenoxymethyl)furan-2-carbonyl]amino]propanoic acid
SMILESCC(C(=O)O)N(C)C(=O)c1occc1COc1ccccc1
InChIInChI=1S/C16H17NO5/c1-11(16(19)20)17(2)15(18)14-12(8-9-21-14)10-22-13-6-4-3-5-7-13/h3-9,11H,10H2,1-2H3,(H,19,20)
InChIKeyNVLDWXZOZIXNIX-UHFFFAOYSA-N
XLogP2.40
TPSA79.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.31
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(methylamino)propyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 120832904
3-[[3-(phenoxymethyl)furan-2-carbonyl]amino]butanoic acid
CID 119220829
N-(1-hydroxypropan-2-yl)-3-(phenoxymethyl)furan-2-carboxamide
CID 78856715
N-(cyanomethyl)-N-ethyl-3-(phenoxymethyl)furan-2-carboxamide
CID 86864591
N-[2-(methylamino)ethyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 119503301
N-(2-methoxyethyl)-3-(phenoxymethyl)furan-2-carboxamide
CID 51304876
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
[4-(2-hydroxypropyl)piperazin-1-yl]-[3-(phenoxymethyl)furan-2-yl]methanone
CID 56779877
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 43060812
N-[[4-(dimethylcarbamoyl)phenyl]methyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 46529748
N-ethoxy-3-(phenoxymethyl)furan-2-carboxamide
CID 30690709

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[3-(phenoxymethyl)furan-2-carbonyl]amino]propanoic acid?
The IUPAC name of 2-[methyl-[3-(phenoxymethyl)furan-2-carbonyl]amino]propanoic acid (CID 119359087) is 2-[methyl-[3-(phenoxymethyl)furan-2-carbonyl]amino]propanoic acid.
What is the SMILES notation for 2-[methyl-[3-(phenoxymethyl)furan-2-carbonyl]amino]propanoic acid?
The canonical SMILES for 2-[methyl-[3-(phenoxymethyl)furan-2-carbonyl]amino]propanoic acid is CC(C(=O)O)N(C)C(=O)c1occc1COc1ccccc1.
What is the InChIKey of 2-[methyl-[3-(phenoxymethyl)furan-2-carbonyl]amino]propanoic acid?
The InChIKey is NVLDWXZOZIXNIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO5/c1-11(16(19)20)17(2)15(18)14-12(8-9-21-14)10-22-13-6-4-3-5-7-13/h3-9,11H,10H2,1-2H3,(H,19,20).
What are the key properties of 2-[methyl-[3-(phenoxymethyl)furan-2-carbonyl]amino]propanoic acid?
2-[methyl-[3-(phenoxymethyl)furan-2-carbonyl]amino]propanoic acid has a molecular weight of 303.31 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[3-(phenoxymethyl)furan-2-carbonyl]amino]propanoic acid is sourced from PubChem (CID 119359087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).