2-[3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enoylamino]oxyacetic acid

C13H15NO5 — CID 77012974

IUPAC2-[3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enoylamino]oxyacetic acid
SMILESCC1CC1c1ccc(C=CC(=O)NOCC(=O)O)o1
InChIInChI=1S/C13H15NO5/c1-8-6-10(8)11-4-2-9(19-11)3-5-12(15)14-18-7-13(16)17/h2-5,8,10H,6-7H2,1H3,(H,14,15)(H,16,17)
InChIKeyGIGSEWBQDCZIED-UHFFFAOYSA-N
MW265.26 g/mol
LogP1.55
Rot. Bonds6

About 2-[3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enoylamino]oxyacetic acid

2-[3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enoylamino]oxyacetic acid (PubChem CID 77012974) has the molecular formula C13H15NO5 and a molecular weight of 265.26 g/mol. Its IUPAC name is 2-[3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enoylamino]oxyacetic acid.

Molecular Properties

Compound Name2-[3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enoylamino]oxyacetic acid
PubChem CID77012974
Molecular FormulaC13H15NO5
Molecular Weight265.26 g/mol
Exact Mass265.10
IUPAC Name2-[3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enoylamino]oxyacetic acid
SMILESCC1CC1c1ccc(C=CC(=O)NOCC(=O)O)o1
InChIInChI=1S/C13H15NO5/c1-8-6-10(8)11-4-2-9(19-11)3-5-12(15)14-18-7-13(16)17/h2-5,8,10H,6-7H2,1H3,(H,14,15)(H,16,17)
InChIKeyGIGSEWBQDCZIED-UHFFFAOYSA-N
XLogP1.55
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide
CID 43237027
(E)-N-[(2S)-butan-2-yl]-3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]prop-2-enamide
CID 129419927
(E)-3-[5-(2-methylcyclopropyl)furan-2-yl]-N'-(2-phenylacetyl)prop-2-enehydrazide
CID 42921726
(E)-N-cyclohexyl-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide
CID 45352237
(E)-3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]prop-2-enoate
CID 7131871
N-methyl-3-[[(Z)-3-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]prop-2-enoyl]amino]propanamide
CID 98645041
(E)-N-(3-hydroxy-2-methylpropyl)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide
CID 65037410
(E)-N-(4-ethoxyphenyl)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide
CID 43016428
(E)-N-[(1R,2R)-2-hydroxycyclohexyl]-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide
CID 104927612
3-[ethyl-[(E)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enoyl]amino]propanoic acid
CID 61008910
(E)-N-[(4-fluorophenyl)methyl]-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide
CID 43034838
2-[[[(E)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enoyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 102558437

Frequently Asked Questions

What is the IUPAC name of 2-[3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enoylamino]oxyacetic acid?
The IUPAC name of 2-[3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enoylamino]oxyacetic acid (CID 77012974) is 2-[3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enoylamino]oxyacetic acid.
What is the SMILES notation for 2-[3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enoylamino]oxyacetic acid?
The canonical SMILES for 2-[3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enoylamino]oxyacetic acid is CC1CC1c1ccc(C=CC(=O)NOCC(=O)O)o1.
What is the InChIKey of 2-[3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enoylamino]oxyacetic acid?
The InChIKey is GIGSEWBQDCZIED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO5/c1-8-6-10(8)11-4-2-9(19-11)3-5-12(15)14-18-7-13(16)17/h2-5,8,10H,6-7H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 2-[3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enoylamino]oxyacetic acid?
2-[3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enoylamino]oxyacetic acid has a molecular weight of 265.26 g/mol, XLogP of 1.55, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enoylamino]oxyacetic acid is sourced from PubChem (CID 77012974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).