Basic information
- CAS
133083-29-1- Standard SMILES
COc1ccc2c(CC(N)C(=O)O)cc(=O)oc2c1- InChIKey
IOHUIWNMQPWOAX-UHFFFAOYSA-N- Molecular formula
- C13H13NO5
- Average molar mass
- 263.25 g/mol
- Monoisotopic mass
- 263.07937252
Overview
structure given in first source
Names & identifiers
- Preferred name
- 2-Amino-3-(7-methoxy-4-coumaryl)propionic acid
- IUPAC
- 2-amino-3-(7-methoxy-2-oxochromen-4-yl)propanoic acid
- English name
- 2-amino-3-(7-methoxy-4-coumaryl)propionic acid
- Molecular formula
- C13H13NO5
- Molecular weight
- 263.25
Names & synonyms
2-Amcpa133083-29-12-Amino-3-(7-methoxy-4-coumaryl)propionic acidRefChem:85107H-beta-(7-Methoxycoumarin-4-yl)-Ala-OH208660-68-82-amino-3-(7-methoxy-2-oxochromen-4-yl)propanoic acid(S)-2-Amino-3-(7-methoxycoumarin-4-yl)-propionic acidSCHEMBL5272449SCHEMBL31537502DTXSID00927925FM110946
Show more names
2H-1-Benzopyran-4-propanoic acid, α-amino-7-methoxy-2-oxo-
3-(7-Methoxy-2-oxo-2H-1-benzopyran-4-yl)alanine
Database identifiers
- CAS
133083-29-1- PubChem CID
- 196856
- DTXSID
DTXSID00927925- Nikkaji
- J1.958.179I
Properties
Computed structural properties
- XLogP
- -1.5
- Topological polar surface area
- 98.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 406
Chemistry & industry
Suppliers1 total
滨海吉尔多肽有限公司021-61263389 13524856427 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…