2-[5-[3-(furan-2-yl)propanoylamino]-2-pyridinyl]acetic acid

C14H14N2O4 — CID 107338969

IUPAC2-[5-[3-(furan-2-yl)propanoylamino]-2-pyridinyl]acetic acid
SMILESO=C(O)Cc1ccc(NC(=O)CCc2ccco2)cn1
InChIInChI=1S/C14H14N2O4/c17-13(6-5-12-2-1-7-20-12)16-11-4-3-10(15-9-11)8-14(18)19/h1-4,7,9H,5-6,8H2,(H,16,17)(H,18,19)
InChIKeyYXGWVNPLTMCAQH-UHFFFAOYSA-N
MW274.28 g/mol
LogP1.87
Rot. Bonds6

About 2-[5-[3-(furan-2-yl)propanoylamino]-2-pyridinyl]acetic acid

2-[5-[3-(furan-2-yl)propanoylamino]-2-pyridinyl]acetic acid (PubChem CID 107338969) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is 2-[5-[3-(furan-2-yl)propanoylamino]-2-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[5-[3-(furan-2-yl)propanoylamino]-2-pyridinyl]acetic acid
PubChem CID107338969
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Name2-[5-[3-(furan-2-yl)propanoylamino]-2-pyridinyl]acetic acid
SMILESO=C(O)Cc1ccc(NC(=O)CCc2ccco2)cn1
InChIInChI=1S/C14H14N2O4/c17-13(6-5-12-2-1-7-20-12)16-11-4-3-10(15-9-11)8-14(18)19/h1-4,7,9H,5-6,8H2,(H,16,17)(H,18,19)
InChIKeyYXGWVNPLTMCAQH-UHFFFAOYSA-N
XLogP1.87
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[3-(furan-2-yl)propanoylamino]-1,3-thiazol-4-yl]acetic acid
CID 28777683
3-(furan-2-yl)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]propanamide
CID 38404476
N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3-(furan-2-yl)propanamide
CID 43071070
2-[5-[(4-amino-4-methylpentanoyl)amino]-2-pyridinyl]acetic acid
CID 107341132
3-(furan-2-yl)-N-[4-(2-hydroxyethoxy)phenyl]propanamide
CID 111116197
2-[5-(carbamoylamino)-2-pyridinyl]acetic acid
CID 107339512
2-[5-[(2-bromofuran-3-carbonyl)amino]-2-pyridinyl]acetic acid
CID 107338762
2-[3-(furan-2-yl)propanoylamino]pyridine-3-carboxylic acid
CID 63652519
2-[5-[[2-(2-methylphenyl)acetyl]amino]-2-pyridinyl]acetic acid
CID 107338478
2-[5-[(2-pyridin-3-ylacetyl)amino]-2-pyridinyl]acetic acid
CID 107339387
3-(furan-2-yl)-N-(4-sulfamoylphenyl)propanamide
CID 18863026
2-[5-[(6-amino-4-methylhexanoyl)amino]-2-pyridinyl]acetic acid
CID 107341135

Frequently Asked Questions

What is the IUPAC name of 2-[5-[3-(furan-2-yl)propanoylamino]-2-pyridinyl]acetic acid?
The IUPAC name of 2-[5-[3-(furan-2-yl)propanoylamino]-2-pyridinyl]acetic acid (CID 107338969) is 2-[5-[3-(furan-2-yl)propanoylamino]-2-pyridinyl]acetic acid.
What is the SMILES notation for 2-[5-[3-(furan-2-yl)propanoylamino]-2-pyridinyl]acetic acid?
The canonical SMILES for 2-[5-[3-(furan-2-yl)propanoylamino]-2-pyridinyl]acetic acid is O=C(O)Cc1ccc(NC(=O)CCc2ccco2)cn1.
What is the InChIKey of 2-[5-[3-(furan-2-yl)propanoylamino]-2-pyridinyl]acetic acid?
The InChIKey is YXGWVNPLTMCAQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4/c17-13(6-5-12-2-1-7-20-12)16-11-4-3-10(15-9-11)8-14(18)19/h1-4,7,9H,5-6,8H2,(H,16,17)(H,18,19).
What are the key properties of 2-[5-[3-(furan-2-yl)propanoylamino]-2-pyridinyl]acetic acid?
2-[5-[3-(furan-2-yl)propanoylamino]-2-pyridinyl]acetic acid has a molecular weight of 274.28 g/mol, XLogP of 1.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[3-(furan-2-yl)propanoylamino]-2-pyridinyl]acetic acid is sourced from PubChem (CID 107338969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).