Basic information
- CAS
77837-01-5- Standard SMILES
NC(=O)c1ccc(NC(=O)CCC(=O)O)nc1- InChIKey
CRWVWKMXVBXWPY-UHFFFAOYSA-N- Molecular formula
- C10H11N3O4
- Average molar mass
- 237.21 g/mol
- Monoisotopic mass
- 237.07495584
Names & identifiers
- Preferred name
- 4-[[5-(Aminocarbonyl)-2-pyridinyl]amino]-4-oxobutanoic acid
- IUPAC
- 4-[(5-carbamoyl-2-pyridinyl)amino]-4-oxobutanoic acid
Names & synonyms
4-[[5-(Aminocarbonyl)-2-pyridinyl]amino]-4-oxobutanoic acidDTXSID70118955777837-01-54-[(5-Carbamoylpyridin-2-yl)amino]-4-oxobutanoic acid
Database identifiers
- CAS
77837-01-5- PubChem CID
- 13633145
- DTXSID
DTXSID701189557
Properties
Computed structural properties
- XLogP
- -1.3
- Topological polar surface area
- 122 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 319
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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