2-[[3-(furan-2-yl)prop-2-enoylamino]methyl]cyclopentane-1-carboxylic acid

C14H17NO4 — CID 77103563

IUPAC2-[[3-(furan-2-yl)prop-2-enoylamino]methyl]cyclopentane-1-carboxylic acid
SMILESO=C(C=Cc1ccco1)NCC1CCCC1C(=O)O
InChIInChI=1S/C14H17NO4/c16-13(7-6-11-4-2-8-19-11)15-9-10-3-1-5-12(10)14(17)18/h2,4,6-8,10,12H,1,3,5,9H2,(H,15,16)(H,17,18)
InChIKeyXIIFBVGWQLBSIF-UHFFFAOYSA-N
MW263.29 g/mol
LogP1.91
Rot. Bonds5

About 2-[[3-(furan-2-yl)prop-2-enoylamino]methyl]cyclopentane-1-carboxylic acid

2-[[3-(furan-2-yl)prop-2-enoylamino]methyl]cyclopentane-1-carboxylic acid (PubChem CID 77103563) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is 2-[[3-(furan-2-yl)prop-2-enoylamino]methyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[3-(furan-2-yl)prop-2-enoylamino]methyl]cyclopentane-1-carboxylic acid
PubChem CID77103563
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name2-[[3-(furan-2-yl)prop-2-enoylamino]methyl]cyclopentane-1-carboxylic acid
SMILESO=C(C=Cc1ccco1)NCC1CCCC1C(=O)O
InChIInChI=1S/C14H17NO4/c16-13(7-6-11-4-2-8-19-11)15-9-10-3-1-5-12(10)14(17)18/h2,4,6-8,10,12H,1,3,5,9H2,(H,15,16)(H,17,18)
InChIKeyXIIFBVGWQLBSIF-UHFFFAOYSA-N
XLogP1.91
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[[3-(furan-2-yl)prop-2-enoylamino]methyl]cyclopentane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 104963667
2-[[3-(2-bromophenyl)prop-2-enoylamino]methyl]cyclopentane-1-carboxylic acid
CID 77103572
3-(furan-2-yl)-N-(piperidin-4-ylmethyl)prop-2-enamide
CID 76923291
(E)-3-(furan-2-yl)-N-[(1-phenylpyrrolidin-2-yl)methyl]prop-2-enamide
CID 72719259
(E)-3-(furan-2-yl)-N-(hydroxymethyl)prop-2-enamide
CID 131239465
(E)-N-[2-(cycloheptylamino)ethyl]-3-(furan-2-yl)prop-2-enamide
CID 81483200
3-[3-(furan-2-yl)prop-2-enoylamino]-2-hydroxypropanoic acid
CID 77113675
3-(furan-2-yl)-N-[2-[3-(furan-2-yl)prop-2-enoylamino]cyclohexyl]prop-2-enamide
CID 3824750
(E)-N-cyclopropyl-3-(furan-2-yl)prop-2-enamide
CID 963880
2-[(but-2-enoylamino)methyl]cyclohexane-1-carboxylic acid
CID 77103475
trans-(1S,2R)-2-[[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 108755838
2-[[3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoylamino]methyl]cyclopentane-1-carboxylic acid
CID 77103531

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(furan-2-yl)prop-2-enoylamino]methyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[[3-(furan-2-yl)prop-2-enoylamino]methyl]cyclopentane-1-carboxylic acid (CID 77103563) is 2-[[3-(furan-2-yl)prop-2-enoylamino]methyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[[3-(furan-2-yl)prop-2-enoylamino]methyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[[3-(furan-2-yl)prop-2-enoylamino]methyl]cyclopentane-1-carboxylic acid is O=C(C=Cc1ccco1)NCC1CCCC1C(=O)O.
What is the InChIKey of 2-[[3-(furan-2-yl)prop-2-enoylamino]methyl]cyclopentane-1-carboxylic acid?
The InChIKey is XIIFBVGWQLBSIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c16-13(7-6-11-4-2-8-19-11)15-9-10-3-1-5-12(10)14(17)18/h2,4,6-8,10,12H,1,3,5,9H2,(H,15,16)(H,17,18).
What are the key properties of 2-[[3-(furan-2-yl)prop-2-enoylamino]methyl]cyclopentane-1-carboxylic acid?
2-[[3-(furan-2-yl)prop-2-enoylamino]methyl]cyclopentane-1-carboxylic acid has a molecular weight of 263.29 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(furan-2-yl)prop-2-enoylamino]methyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 77103563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).