3-[3-(4-hydroxyphenyl)prop-2-enoylamino]cyclopentane-1-carboxylic acid

C15H17NO4 — CID 77110079

IUPAC3-[3-(4-hydroxyphenyl)prop-2-enoylamino]cyclopentane-1-carboxylic acid
SMILESO=C(C=Cc1ccc(O)cc1)NC1CCC(C(=O)O)C1
InChIInChI=1S/C15H17NO4/c17-13-6-1-10(2-7-13)3-8-14(18)16-12-5-4-11(9-12)15(19)20/h1-3,6-8,11-12,17H,4-5,9H2,(H,16,18)(H,19,20)
InChIKeyKWFZZLJXWRQRDD-UHFFFAOYSA-N
MW275.30 g/mol
LogP1.77
Rot. Bonds4

About 3-[3-(4-hydroxyphenyl)prop-2-enoylamino]cyclopentane-1-carboxylic acid

3-[3-(4-hydroxyphenyl)prop-2-enoylamino]cyclopentane-1-carboxylic acid (PubChem CID 77110079) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is 3-[3-(4-hydroxyphenyl)prop-2-enoylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[3-(4-hydroxyphenyl)prop-2-enoylamino]cyclopentane-1-carboxylic acid
PubChem CID77110079
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Name3-[3-(4-hydroxyphenyl)prop-2-enoylamino]cyclopentane-1-carboxylic acid
SMILESO=C(C=Cc1ccc(O)cc1)NC1CCC(C(=O)O)C1
InChIInChI=1S/C15H17NO4/c17-13-6-1-10(2-7-13)3-8-14(18)16-12-5-4-11(9-12)15(19)20/h1-3,6-8,11-12,17H,4-5,9H2,(H,16,18)(H,19,20)
InChIKeyKWFZZLJXWRQRDD-UHFFFAOYSA-N
XLogP1.77
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(3-phenylprop-2-enoylamino)cyclopentane-1-carboxylic acid
CID 77110063
(E)-3-(4-hydroxyphenyl)-N-[(1S,2S)-2-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]amino]cyclohexyl]prop-2-enamide
CID 102001285
3-[3-(2-methylphenyl)prop-2-enoylamino]cyclopentane-1-carboxylic acid
CID 77109183
3-[3-(5-chlorothiophen-2-yl)prop-2-enoylamino]cyclopentane-1-carboxylic acid
CID 77110069
(E)-3-(4-chlorophenyl)-N-(3-methylcyclopentyl)prop-2-enamide
CID 14967663
3-[3-(5-bromofuran-2-yl)prop-2-enoylamino]cyclopentane-1-carboxylic acid
CID 77110036
(E)-3-(4-bromophenyl)-N-cyclopropylprop-2-enamide
CID 903325
3-[3-(2,5-dichlorophenyl)prop-2-enoylamino]cyclopentane-1-carboxylic acid
CID 77110070
(E)-N-(2-hydroxycyclohexyl)-3-(4-hydroxyphenyl)prop-2-enamide
CID 55063743
(E)-N-cyclopropyl-3-(4-methoxyphenyl)prop-2-enamide
CID 874267
(E)-N-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]dioxin-6-yl)-3-phenylprop-2-enamide
CID 91815978
(E)-N-cycloheptyl-3-phenylprop-2-enamide
CID 6027758

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-hydroxyphenyl)prop-2-enoylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of 3-[3-(4-hydroxyphenyl)prop-2-enoylamino]cyclopentane-1-carboxylic acid (CID 77110079) is 3-[3-(4-hydroxyphenyl)prop-2-enoylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-[3-(4-hydroxyphenyl)prop-2-enoylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-[3-(4-hydroxyphenyl)prop-2-enoylamino]cyclopentane-1-carboxylic acid is O=C(C=Cc1ccc(O)cc1)NC1CCC(C(=O)O)C1.
What is the InChIKey of 3-[3-(4-hydroxyphenyl)prop-2-enoylamino]cyclopentane-1-carboxylic acid?
The InChIKey is KWFZZLJXWRQRDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4/c17-13-6-1-10(2-7-13)3-8-14(18)16-12-5-4-11(9-12)15(19)20/h1-3,6-8,11-12,17H,4-5,9H2,(H,16,18)(H,19,20).
What are the key properties of 3-[3-(4-hydroxyphenyl)prop-2-enoylamino]cyclopentane-1-carboxylic acid?
3-[3-(4-hydroxyphenyl)prop-2-enoylamino]cyclopentane-1-carboxylic acid has a molecular weight of 275.30 g/mol, XLogP of 1.77, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-hydroxyphenyl)prop-2-enoylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 77110079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).