(E)-3-[5-[(3-methylcyclopentyl)carbamoyl]thiophen-2-yl]prop-2-enoic acid

C14H17NO3S — CID 114539820

IUPAC(E)-3-[5-[(3-methylcyclopentyl)carbamoyl]thiophen-2-yl]prop-2-enoic acid
SMILESCC1CCC(NC(=O)c2ccc(/C=C/C(=O)O)s2)C1
InChIInChI=1S/C14H17NO3S/c1-9-2-3-10(8-9)15-14(18)12-6-4-11(19-12)5-7-13(16)17/h4-7,9-10H,2-3,8H2,1H3,(H,15,18)(H,16,17)/b7-5+
InChIKeyFYRKKYPWVNTECI-FNORWQNLSA-N
MW279.36 g/mol
LogP2.76
Rot. Bonds4

About (E)-3-[5-[(3-methylcyclopentyl)carbamoyl]thiophen-2-yl]prop-2-enoic acid

(E)-3-[5-[(3-methylcyclopentyl)carbamoyl]thiophen-2-yl]prop-2-enoic acid (PubChem CID 114539820) has the molecular formula C14H17NO3S and a molecular weight of 279.36 g/mol. Its IUPAC name is (E)-3-[5-[(3-methylcyclopentyl)carbamoyl]thiophen-2-yl]prop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-[5-[(3-methylcyclopentyl)carbamoyl]thiophen-2-yl]prop-2-enoic acid
PubChem CID114539820
Molecular FormulaC14H17NO3S
Molecular Weight279.36 g/mol
Exact Mass279.09
IUPAC Name(E)-3-[5-[(3-methylcyclopentyl)carbamoyl]thiophen-2-yl]prop-2-enoic acid
SMILESCC1CCC(NC(=O)c2ccc(/C=C/C(=O)O)s2)C1
InChIInChI=1S/C14H17NO3S/c1-9-2-3-10(8-9)15-14(18)12-6-4-11(19-12)5-7-13(16)17/h4-7,9-10H,2-3,8H2,1H3,(H,15,18)(H,16,17)/b7-5+
InChIKeyFYRKKYPWVNTECI-FNORWQNLSA-N
XLogP2.76
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 52.76
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

3-[5-[[3-(cyclopropylamino)-3-oxopropyl]carbamoyl]thiophen-2-yl]prop-2-enoic acid
CID 79381490
(E)-3-[5-(propylcarbamoyl)thiophen-2-yl]prop-2-enoic acid
CID 109375185
3-[5-(dicyclopropylmethylcarbamoyl)thiophen-2-yl]prop-2-enoic acid
CID 76907021
3-[5-[(2-methylcyclohexyl)methylcarbamoyl]thiophen-2-yl]prop-2-enoic acid
CID 76912828
N-cyclopropyl-5-formylthiophene-2-carboxamide
CID 118380717
3-[5-[2-(dimethylamino)ethylcarbamoyl]thiophen-2-yl]prop-2-enoic acid
CID 54971487
5-[(3-methylcyclobutyl)carbamoyl]thiophene-2-carboxylic acid
CID 115910451
3-[5-(3-methylbutylcarbamoyl)thiophen-2-yl]prop-2-enoic acid
CID 54971190
(E)-3-[5-(pentan-3-ylcarbamoyl)thiophen-2-yl]prop-2-enoic acid
CID 94231052
3-[5-[[3-(methylamino)-3-oxopropyl]carbamoyl]thiophen-2-yl]prop-2-enoic acid
CID 76927127
4-ethyl-N-(3-methylcyclopentyl)-5-propylthiophene-2-carboxamide
CID 114549705
3-[5-[[methyl-(4-methylcyclohexyl)amino]methyl]thiophen-2-yl]prop-2-enoic acid
CID 76917834

Frequently Asked Questions

What is the IUPAC name of (E)-3-[5-[(3-methylcyclopentyl)carbamoyl]thiophen-2-yl]prop-2-enoic acid?
The IUPAC name of (E)-3-[5-[(3-methylcyclopentyl)carbamoyl]thiophen-2-yl]prop-2-enoic acid (CID 114539820) is (E)-3-[5-[(3-methylcyclopentyl)carbamoyl]thiophen-2-yl]prop-2-enoic acid.
What is the SMILES notation for (E)-3-[5-[(3-methylcyclopentyl)carbamoyl]thiophen-2-yl]prop-2-enoic acid?
The canonical SMILES for (E)-3-[5-[(3-methylcyclopentyl)carbamoyl]thiophen-2-yl]prop-2-enoic acid is CC1CCC(NC(=O)c2ccc(/C=C/C(=O)O)s2)C1.
What is the InChIKey of (E)-3-[5-[(3-methylcyclopentyl)carbamoyl]thiophen-2-yl]prop-2-enoic acid?
The InChIKey is FYRKKYPWVNTECI-FNORWQNLSA-N. The full InChI is InChI=1S/C14H17NO3S/c1-9-2-3-10(8-9)15-14(18)12-6-4-11(19-12)5-7-13(16)17/h4-7,9-10H,2-3,8H2,1H3,(H,15,18)(H,16,17)/b7-5+.
What are the key properties of (E)-3-[5-[(3-methylcyclopentyl)carbamoyl]thiophen-2-yl]prop-2-enoic acid?
(E)-3-[5-[(3-methylcyclopentyl)carbamoyl]thiophen-2-yl]prop-2-enoic acid has a molecular weight of 279.36 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[5-[(3-methylcyclopentyl)carbamoyl]thiophen-2-yl]prop-2-enoic acid is sourced from PubChem (CID 114539820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).