2-[1-[3-(5-methylfuran-2-yl)prop-2-enoylamino]cyclopentyl]acetic acid

C15H19NO4 — CID 77058333

IUPAC2-[1-[3-(5-methylfuran-2-yl)prop-2-enoylamino]cyclopentyl]acetic acid
SMILESCc1ccc(C=CC(=O)NC2(CC(=O)O)CCCC2)o1
InChIInChI=1S/C15H19NO4/c1-11-4-5-12(20-11)6-7-13(17)16-15(10-14(18)19)8-2-3-9-15/h4-7H,2-3,8-10H2,1H3,(H,16,17)(H,18,19)
InChIKeyZWODZXSNXIFCJA-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.50
Rot. Bonds5

About 2-[1-[3-(5-methylfuran-2-yl)prop-2-enoylamino]cyclopentyl]acetic acid

2-[1-[3-(5-methylfuran-2-yl)prop-2-enoylamino]cyclopentyl]acetic acid (PubChem CID 77058333) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-[1-[3-(5-methylfuran-2-yl)prop-2-enoylamino]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[3-(5-methylfuran-2-yl)prop-2-enoylamino]cyclopentyl]acetic acid
PubChem CID77058333
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name2-[1-[3-(5-methylfuran-2-yl)prop-2-enoylamino]cyclopentyl]acetic acid
SMILESCc1ccc(C=CC(=O)NC2(CC(=O)O)CCCC2)o1
InChIInChI=1S/C15H19NO4/c1-11-4-5-12(20-11)6-7-13(17)16-15(10-14(18)19)8-2-3-9-15/h4-7H,2-3,8-10H2,1H3,(H,16,17)(H,18,19)
InChIKeyZWODZXSNXIFCJA-UHFFFAOYSA-N
XLogP2.50
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]cycloheptane-1-carboxylic acid
CID 43360670
(E)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-(5-methylfuran-2-yl)prop-2-enamide
CID 115362561
2-[1-[3-(4-methylphenyl)prop-2-enoylamino]cyclopentyl]acetic acid
CID 77058445
1-[[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 115435589
2-[1-(3-thiophen-2-ylprop-2-enoylamino)cyclohexyl]acetic acid
CID 77058374
3-(5-methylfuran-2-yl)-N-(3-methyl-2-oxooxolan-3-yl)prop-2-enamide
CID 136544172
2-[1-[3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoylamino]cyclobutyl]acetic acid
CID 79845296
(E)-3-(5-methylfuran-2-yl)-N-[3-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]propyl]prop-2-enamide
CID 6074056
3-(furan-2-yl)-N-[1-(hydroxymethyl)cyclopentyl]prop-2-enamide
CID 76945736
(E)-3-(furan-2-yl)-N-[1-(hydroxymethyl)cyclopentyl]prop-2-enamide
CID 62517867
(E)-N-[(3-hydroxythiolan-3-yl)methyl]-3-(5-methylfuran-2-yl)prop-2-enamide
CID 75534125
6-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]hexanoic acid
CID 43091711

Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-(5-methylfuran-2-yl)prop-2-enoylamino]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[3-(5-methylfuran-2-yl)prop-2-enoylamino]cyclopentyl]acetic acid (CID 77058333) is 2-[1-[3-(5-methylfuran-2-yl)prop-2-enoylamino]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[3-(5-methylfuran-2-yl)prop-2-enoylamino]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[3-(5-methylfuran-2-yl)prop-2-enoylamino]cyclopentyl]acetic acid is Cc1ccc(C=CC(=O)NC2(CC(=O)O)CCCC2)o1.
What is the InChIKey of 2-[1-[3-(5-methylfuran-2-yl)prop-2-enoylamino]cyclopentyl]acetic acid?
The InChIKey is ZWODZXSNXIFCJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-11-4-5-12(20-11)6-7-13(17)16-15(10-14(18)19)8-2-3-9-15/h4-7H,2-3,8-10H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 2-[1-[3-(5-methylfuran-2-yl)prop-2-enoylamino]cyclopentyl]acetic acid?
2-[1-[3-(5-methylfuran-2-yl)prop-2-enoylamino]cyclopentyl]acetic acid has a molecular weight of 277.32 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-(5-methylfuran-2-yl)prop-2-enoylamino]cyclopentyl]acetic acid is sourced from PubChem (CID 77058333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).