Basic information
- CAS
148-08-3- Standard SMILES
O=C(O)CCn1cc(N(CCCl)CCCl)c(=O)[nH]c1=O- InChIKey
YJZHHUYNDYCOCG-UHFFFAOYSA-N- Molecular formula
- C11H15Cl2N3O4
- Average molar mass
- 324.16 g/mol
- Monoisotopic mass
- 323.0439614
Names & identifiers
- Preferred name
- 1(2h)-Pyrimidinepropanoic acid, 5-[bis(2-chloroethyl)amino]-3,4-dihydro-2,4-dioxo-
- IUPAC
- 3-[5-[bis(2-chloroethyl)amino]-2,4-dioxopyrimidin-1-yl]propanoic acid
Names & synonyms
148-08-31(2h)-pyrimidinepropanoic acid, 5-[bis(2-chloroethyl)amino]-3,4-dihydro-2,4-dioxo-NSC75719CHEMBL123289DTXSID80291459NSC-757193-{5-[Bis(2-chloroethyl)amino]-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl}propanoic acid
Database identifiers
- CAS
148-08-3- PubChem CID
- 253151
- DTXSID
DTXSID80291459- ChEMBL
CHEMBL123289
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 90 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 422
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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