3-[[5-(phenoxymethyl)furan-2-carbonyl]amino]propanoic acid

C15H15NO5 — CID 126200596

IUPAC3-[[5-(phenoxymethyl)furan-2-carbonyl]amino]propanoic acid
SMILESO=C(O)CCNC(=O)c1ccc(COc2ccccc2)o1
InChIInChI=1S/C15H15NO5/c17-14(18)8-9-16-15(19)13-7-6-12(21-13)10-20-11-4-2-1-3-5-11/h1-7H,8-10H2,(H,16,19)(H,17,18)
InChIKeyBBTZCEBQLZEXLB-UHFFFAOYSA-N
MW289.29 g/mol
LogP2.06
Rot. Bonds7

About 3-[[5-(phenoxymethyl)furan-2-carbonyl]amino]propanoic acid

3-[[5-(phenoxymethyl)furan-2-carbonyl]amino]propanoic acid (PubChem CID 126200596) has the molecular formula C15H15NO5 and a molecular weight of 289.29 g/mol. Its IUPAC name is 3-[[5-(phenoxymethyl)furan-2-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[5-(phenoxymethyl)furan-2-carbonyl]amino]propanoic acid
PubChem CID126200596
Molecular FormulaC15H15NO5
Molecular Weight289.29 g/mol
Exact Mass289.10
IUPAC Name3-[[5-(phenoxymethyl)furan-2-carbonyl]amino]propanoic acid
SMILESO=C(O)CCNC(=O)c1ccc(COc2ccccc2)o1
InChIInChI=1S/C15H15NO5/c17-14(18)8-9-16-15(19)13-7-6-12(21-13)10-20-11-4-2-1-3-5-11/h1-7H,8-10H2,(H,16,19)(H,17,18)
InChIKeyBBTZCEBQLZEXLB-UHFFFAOYSA-N
XLogP2.06
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[5-(phenoxymethyl)furan-2-carbonyl]amino]acetic acid
CID 82043257
N-methyl-5-(phenoxymethyl)furan-2-carboxamide
CID 7678218
N-[(4-fluorophenyl)methyl]-5-(phenoxymethyl)furan-2-carboxamide
CID 7975174
5-(phenoxymethyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]furan-2-carboxamide
CID 43066958
N'-(4-phenoxybutanoyl)-5-(phenoxymethyl)furan-2-carbohydrazide
CID 31837131
5-[(4-methylphenoxy)methyl]-N-propylfuran-2-carboxamide
CID 2200397
N'-(2-fluorobenzoyl)-5-(phenoxymethyl)furan-2-carbohydrazide
CID 4795196
N-cyclohexyl-5-(phenoxymethyl)furan-2-carboxamide
CID 24980847
N-(3-methoxypropyl)-5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]furan-2-carboxamide
CID 19457169
5-[(4-ethylphenoxy)methyl]-N-(2-sulfanylethyl)furan-2-carboxamide
CID 19446639
N-(3-imidazol-1-ylpropyl)-5-(phenoxymethyl)furan-2-carboxamide
CID 9463031
N'-(2-methoxyacetyl)-5-(phenoxymethyl)furan-2-carbohydrazide
CID 31466053

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(phenoxymethyl)furan-2-carbonyl]amino]propanoic acid?
The IUPAC name of 3-[[5-(phenoxymethyl)furan-2-carbonyl]amino]propanoic acid (CID 126200596) is 3-[[5-(phenoxymethyl)furan-2-carbonyl]amino]propanoic acid.
What is the SMILES notation for 3-[[5-(phenoxymethyl)furan-2-carbonyl]amino]propanoic acid?
The canonical SMILES for 3-[[5-(phenoxymethyl)furan-2-carbonyl]amino]propanoic acid is O=C(O)CCNC(=O)c1ccc(COc2ccccc2)o1.
What is the InChIKey of 3-[[5-(phenoxymethyl)furan-2-carbonyl]amino]propanoic acid?
The InChIKey is BBTZCEBQLZEXLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO5/c17-14(18)8-9-16-15(19)13-7-6-12(21-13)10-20-11-4-2-1-3-5-11/h1-7H,8-10H2,(H,16,19)(H,17,18).
What are the key properties of 3-[[5-(phenoxymethyl)furan-2-carbonyl]amino]propanoic acid?
3-[[5-(phenoxymethyl)furan-2-carbonyl]amino]propanoic acid has a molecular weight of 289.29 g/mol, XLogP of 2.06, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(phenoxymethyl)furan-2-carbonyl]amino]propanoic acid is sourced from PubChem (CID 126200596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).