(E)-2-amino-3-thiophen-2-ylprop-2-enoic acid

C7H7NO2S — CID 104830865

IUPAC(E)-2-amino-3-thiophen-2-ylprop-2-enoic acid
SMILESN/C(=C/c1cccs1)C(=O)O
InChIInChI=1S/C7H7NO2S/c8-6(7(9)10)4-5-2-1-3-11-5/h1-4H,8H2,(H,9,10)/b6-4+
InChIKeyOMPMVQKFSYRKCQ-GQCTYLIASA-N
MW169.21 g/mol
LogP1.13
Rot. Bonds2

About (E)-2-amino-3-thiophen-2-ylprop-2-enoic acid

(E)-2-amino-3-thiophen-2-ylprop-2-enoic acid (PubChem CID 104830865) has the molecular formula C7H7NO2S and a molecular weight of 169.21 g/mol. Its IUPAC name is (E)-2-amino-3-thiophen-2-ylprop-2-enoic acid.

Molecular Properties

Compound Name(E)-2-amino-3-thiophen-2-ylprop-2-enoic acid
PubChem CID104830865
Molecular FormulaC7H7NO2S
Molecular Weight169.21 g/mol
Exact Mass169.02
IUPAC Name(E)-2-amino-3-thiophen-2-ylprop-2-enoic acid
SMILESN/C(=C/c1cccs1)C(=O)O
InChIInChI=1S/C7H7NO2S/c8-6(7(9)10)4-5-2-1-3-11-5/h1-4H,8H2,(H,9,10)/b6-4+
InChIKeyOMPMVQKFSYRKCQ-GQCTYLIASA-N
XLogP1.13
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.21
LogP ≤ 51.13
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

2-(thiophen-2-ylmethylidene)propanedioic acid
CID 4714957
2-(thiophen-2-ylmethylidene)propanediamide
CID 5079332
(E)-2-chloro-3-thiophen-2-ylprop-2-enoic acid
CID 88503797
2-sulfanyl-3-thiophen-2-ylprop-2-enoic acid;hydrate
CID 71375341
3-thiophen-2-ylprop-2-ene-1,2-diamine
CID 163408563
methyl (Z)-2-hydroxy-3-thiophen-2-ylprop-2-enoate
CID 52985524
2-aminoacetic acid;thiophene-2-carbaldehyde
CID 23295605
dibenzyl 2-(thiophen-2-ylmethylidene)propanedioate
CID 12987266
2-(thiophen-2-ylmethylidene)butanal
CID 79001686
(E)-2-phenyl-3-thiophen-2-ylprop-2-enal
CID 10584747
(E)-N,N,2-trimethyl-3-thiophen-2-ylprop-2-enamide
CID 14383806
(E)-3-thiophen-2-ylprop-2-enoic acid;hydrochloride
CID 88528301

Frequently Asked Questions

What is the IUPAC name of (E)-2-amino-3-thiophen-2-ylprop-2-enoic acid?
The IUPAC name of (E)-2-amino-3-thiophen-2-ylprop-2-enoic acid (CID 104830865) is (E)-2-amino-3-thiophen-2-ylprop-2-enoic acid.
What is the SMILES notation for (E)-2-amino-3-thiophen-2-ylprop-2-enoic acid?
The canonical SMILES for (E)-2-amino-3-thiophen-2-ylprop-2-enoic acid is N/C(=C/c1cccs1)C(=O)O.
What is the InChIKey of (E)-2-amino-3-thiophen-2-ylprop-2-enoic acid?
The InChIKey is OMPMVQKFSYRKCQ-GQCTYLIASA-N. The full InChI is InChI=1S/C7H7NO2S/c8-6(7(9)10)4-5-2-1-3-11-5/h1-4H,8H2,(H,9,10)/b6-4+.
What are the key properties of (E)-2-amino-3-thiophen-2-ylprop-2-enoic acid?
(E)-2-amino-3-thiophen-2-ylprop-2-enoic acid has a molecular weight of 169.21 g/mol, XLogP of 1.13, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-amino-3-thiophen-2-ylprop-2-enoic acid is sourced from PubChem (CID 104830865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).