1-[[(E)-3-(4-aminophenyl)prop-2-enoyl]amino]cyclopentane-1-carboxylic acid

C15H18N2O3 — CID 115343519

IUPAC1-[[(E)-3-(4-aminophenyl)prop-2-enoyl]amino]cyclopentane-1-carboxylic acid
SMILESNc1ccc(/C=C/C(=O)NC2(C(=O)O)CCCC2)cc1
InChIInChI=1S/C15H18N2O3/c16-12-6-3-11(4-7-12)5-8-13(18)17-15(14(19)20)9-1-2-10-15/h3-8H,1-2,9-10,16H2,(H,17,18)(H,19,20)/b8-5+
InChIKeyGIDNVPOVEQRCSD-VMPITWQZSA-N
MW274.32 g/mol
LogP1.80
Rot. Bonds4

About 1-[[(E)-3-(4-aminophenyl)prop-2-enoyl]amino]cyclopentane-1-carboxylic acid

1-[[(E)-3-(4-aminophenyl)prop-2-enoyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 115343519) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 1-[[(E)-3-(4-aminophenyl)prop-2-enoyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[(E)-3-(4-aminophenyl)prop-2-enoyl]amino]cyclopentane-1-carboxylic acid
PubChem CID115343519
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name1-[[(E)-3-(4-aminophenyl)prop-2-enoyl]amino]cyclopentane-1-carboxylic acid
SMILESNc1ccc(/C=C/C(=O)NC2(C(=O)O)CCCC2)cc1
InChIInChI=1S/C15H18N2O3/c16-12-6-3-11(4-7-12)5-8-13(18)17-15(14(19)20)9-1-2-10-15/h3-8H,1-2,9-10,16H2,(H,17,18)(H,19,20)/b8-5+
InChIKeyGIDNVPOVEQRCSD-VMPITWQZSA-N
XLogP1.80
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]amino]cyclohexane-1-carboxylic acid
CID 43172029
1-[[(E)-3-(3,5-dichlorophenyl)prop-2-enoyl]amino]cyclopentane-1-carboxylic acid
CID 43351025
1-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enoylamino]cyclohexane-1-carboxylic acid
CID 91941989
1-[[(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enoyl]amino]cyclohexane-1-carboxylic acid
CID 45427810
1-[[(E)-3-(3-fluorophenyl)prop-2-enoyl]amino]cyclohexane-1-carboxylic acid
CID 43091960
(E)-3-(4-aminophenyl)-N-[1-(trifluoromethyl)cyclopropyl]prop-2-enamide
CID 106213345
4-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]oxane-4-carboxylic acid
CID 115291461
1-[[(E)-3-(3-chloro-4-fluorophenyl)prop-2-enoyl]amino]cyclobutane-1-carboxylic acid
CID 81158402
1-[[(E)-3-(2-fluorophenyl)prop-2-enoyl]amino]cyclohexane-1-carboxylic acid
CID 43239156
1-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]cyclohexane-1-carboxylic acid
CID 43239133
1-[[(E)-3-(1-methylpyrazol-4-yl)prop-2-enoyl]amino]cyclobutane-1-carboxylic acid
CID 81157772
(E)-3-(4-aminophenyl)prop-2-enehydrazide
CID 79006134

Frequently Asked Questions

What is the IUPAC name of 1-[[(E)-3-(4-aminophenyl)prop-2-enoyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[[(E)-3-(4-aminophenyl)prop-2-enoyl]amino]cyclopentane-1-carboxylic acid (CID 115343519) is 1-[[(E)-3-(4-aminophenyl)prop-2-enoyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[[(E)-3-(4-aminophenyl)prop-2-enoyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[[(E)-3-(4-aminophenyl)prop-2-enoyl]amino]cyclopentane-1-carboxylic acid is Nc1ccc(/C=C/C(=O)NC2(C(=O)O)CCCC2)cc1.
What is the InChIKey of 1-[[(E)-3-(4-aminophenyl)prop-2-enoyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is GIDNVPOVEQRCSD-VMPITWQZSA-N. The full InChI is InChI=1S/C15H18N2O3/c16-12-6-3-11(4-7-12)5-8-13(18)17-15(14(19)20)9-1-2-10-15/h3-8H,1-2,9-10,16H2,(H,17,18)(H,19,20)/b8-5+.
What are the key properties of 1-[[(E)-3-(4-aminophenyl)prop-2-enoyl]amino]cyclopentane-1-carboxylic acid?
1-[[(E)-3-(4-aminophenyl)prop-2-enoyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 274.32 g/mol, XLogP of 1.80, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(E)-3-(4-aminophenyl)prop-2-enoyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 115343519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).