2-[[5-(phenoxymethyl)furan-2-carbonyl]amino]acetic acid

C14H13NO5 — CID 82043257

IUPAC2-[[5-(phenoxymethyl)furan-2-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1ccc(COc2ccccc2)o1
InChIInChI=1S/C14H13NO5/c16-13(17)8-15-14(18)12-7-6-11(20-12)9-19-10-4-2-1-3-5-10/h1-7H,8-9H2,(H,15,18)(H,16,17)
InChIKeyFQGMLZMPUWTLMX-UHFFFAOYSA-N
MW275.26 g/mol
LogP1.67
Rot. Bonds6

About 2-[[5-(phenoxymethyl)furan-2-carbonyl]amino]acetic acid

2-[[5-(phenoxymethyl)furan-2-carbonyl]amino]acetic acid (PubChem CID 82043257) has the molecular formula C14H13NO5 and a molecular weight of 275.26 g/mol. Its IUPAC name is 2-[[5-(phenoxymethyl)furan-2-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[5-(phenoxymethyl)furan-2-carbonyl]amino]acetic acid
PubChem CID82043257
Molecular FormulaC14H13NO5
Molecular Weight275.26 g/mol
Exact Mass275.08
IUPAC Name2-[[5-(phenoxymethyl)furan-2-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1ccc(COc2ccccc2)o1
InChIInChI=1S/C14H13NO5/c16-13(17)8-15-14(18)12-7-6-11(20-12)9-19-10-4-2-1-3-5-10/h1-7H,8-9H2,(H,15,18)(H,16,17)
InChIKeyFQGMLZMPUWTLMX-UHFFFAOYSA-N
XLogP1.67
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[5-(phenoxymethyl)furan-2-carbonyl]amino]propanoic acid
CID 126200596
N-methyl-5-(phenoxymethyl)furan-2-carboxamide
CID 7678218
N-[(4-fluorophenyl)methyl]-5-(phenoxymethyl)furan-2-carboxamide
CID 7975174
2-[[5-[(2,4-dichlorophenoxy)methyl]furan-2-carbonyl]amino]acetic acid
CID 126213765
N'-[2-(4-hydroxyphenyl)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide
CID 78822023
N'-(2-methoxyacetyl)-5-(phenoxymethyl)furan-2-carbohydrazide
CID 31466053
N-(oxolan-2-ylmethyl)-5-(phenoxymethyl)furan-2-carboxamide
CID 24980461
N'-(2-fluorobenzoyl)-5-(phenoxymethyl)furan-2-carbohydrazide
CID 4795196
N'-(4-methylbenzoyl)-5-(phenoxymethyl)furan-2-carbohydrazide
CID 7979169
N'-(4-phenoxybutanoyl)-5-(phenoxymethyl)furan-2-carbohydrazide
CID 31837131
N-(2-chlorophenyl)-5-(phenoxymethyl)furan-2-carboxamide
CID 7679417
N-cyclohexyl-5-(phenoxymethyl)furan-2-carboxamide
CID 24980847

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(phenoxymethyl)furan-2-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[5-(phenoxymethyl)furan-2-carbonyl]amino]acetic acid (CID 82043257) is 2-[[5-(phenoxymethyl)furan-2-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[5-(phenoxymethyl)furan-2-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[5-(phenoxymethyl)furan-2-carbonyl]amino]acetic acid is O=C(O)CNC(=O)c1ccc(COc2ccccc2)o1.
What is the InChIKey of 2-[[5-(phenoxymethyl)furan-2-carbonyl]amino]acetic acid?
The InChIKey is FQGMLZMPUWTLMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO5/c16-13(17)8-15-14(18)12-7-6-11(20-12)9-19-10-4-2-1-3-5-10/h1-7H,8-9H2,(H,15,18)(H,16,17).
What are the key properties of 2-[[5-(phenoxymethyl)furan-2-carbonyl]amino]acetic acid?
2-[[5-(phenoxymethyl)furan-2-carbonyl]amino]acetic acid has a molecular weight of 275.26 g/mol, XLogP of 1.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(phenoxymethyl)furan-2-carbonyl]amino]acetic acid is sourced from PubChem (CID 82043257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).