Dehydroalanine
Grundinformationen
- CAS
1948-56-7- Standard-SMILES
C=C(N)C(=O)O- InChIKey
UQBOJOOOTLPNST-UHFFFAOYSA-N- Summenformel
- C3H5NO2
- Durchschnittliche Molmasse
- 87,08 g/mol
- Monoisotopische Masse
- 87,0320284
Überblick
2-aminoacrylic acid is a 2,3-dehydroamino acid that is alanine which has been dehydrogenated to introduce a double bond between positions 2 and 3. It has a role as an alkylating agent, a mouse metabolite and a human metabolite. It is a 2,3-dehydroamino acid, an enamine, an alpha,beta-unsaturated monocarboxylic acid and a non-proteinogenic alpha-amino acid. It is a conjugate acid of a 2-aminoacrylate. It is a tautomer of a 2-iminiopropionate, a 2-ammonioprop-2-enoate and a 2-iminopropionic acid.
Namen und Bezeichner
- Bevorzugter Name
- Dehydroalanine
- IUPAC
- 2-aminoprop-2-enoic acid
- Englischer Name
- dehydroalanine
- Summenformel
- C3H5NO2
- Molmasse
- 87.08
Namen und Synonyme
dehydroalanine1948-56-72,3-DIDEHYDROALANINEaminoacrylic acid2-Propenoic acid, 2-amino-98RA387EKYDTXSID90173131RefChem:919767DTXCID50956222-aminoacrylic acid2-aminoprop-2-enoic acid2-Propenoic acid,2-amino-
Weitere Namen anzeigen
Aminoacrylateα-Aminoacrylic acid2-Aminopropenoic acid
2-AMINO-ACRYLIC ACIDUNII-98RA387EKYa-b-di-dehydroalanine2-ammonioprop-2-enoateALANINE, DEHYDRO-alpha-beta-di-dehydroalanineSCHEMBL124640ACRYLIC ACID, 2-AMINO-
Datenbank-Bezeichner
- CAS
1948-56-7、28453-71-6- PubChem CID
- 123991
- DTXSID
DTXSID90173131- ChEBI
CHEBI:17123- UNII
- 98RA387EKY
- Nikkaji
- J80.352I
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -0,1
- Polarare Oberfläche (TPSA)
- 63,3 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 6
- Formalladung
- 0
- Komplexität
- 86,8
Experimentelle und physikochemische Eigenschaften
DrugsPharmaceuticals -> Listed in ZINC15
LogP-2.651
Physical DescriptionSolid
Physikochemische Eigenschaften
- Siedepunkt
- 251.2 · 251.2±23.0 °C(Predicted)
- Dichte
- 1.222 · 1.222±0.06 g/cm3(Predicted)
- pka
- 2.5 · 2.50±0.50(Predicted)
Chemie und Industrie
Pharmakologische Informationen
Metabolite PathwaysThyroid hormone synthesis
Anbieter7 Anbieter
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北京珐默兹医药科技有限公司15811073878 · [email protected]
南京守晨医药技术有限公司13913880980 · [email protected]
Ergänzende Hinweise
DefinitionChEBI: A dehydroamino acid that is alanine which has been dehydrogenated to introduce a double bond between positions 2 and 3.
Zugehörige Reaktionen
3
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