[(6-Bromo-pyridin-3-ylmethyl)-isopropyl-amino]-acetic acid
Basic information
- CAS
1353977-69-1- Standard SMILES
CC(C)N(CC(=O)O)Cc1ccc(Br)nc1- InChIKey
SXABDIWWFZFBQO-UHFFFAOYSA-N- Molecular formula
- C11H15BrN2O2
- Average molar mass
- 287.15 g/mol
- Monoisotopic mass
- 286.03169
Names & identifiers
- Preferred name
- [(6-Bromo-pyridin-3-ylmethyl)-isopropyl-amino]-acetic acid
- IUPAC
- 2-[(6-bromo-3-pyridinyl)methyl-propan-2-ylamino]acetic acid
- English name
- [(6-BroMo-pyridin-3-ylMethyl)-isopropyl-aMino]-acetic acid
- Molecular formula
- C11H15BrN2O2
- Molecular weight
- 287.15
Names & synonyms
1353977-69-1[(6-Bromo-pyridin-3-ylmethyl)-isopropyl-amino]-acetic acid2-(((6-Bromopyridin-3-yl)methyl)(isopropyl)amino)acetic acid2-[(6-bromopyridin-3-yl)methyl-propan-2-ylamino]acetic acidDTXSID601188487DB-248419N-[(6-Bromopyridin-3-yl)methyl]-N-propan-2-ylglycine2-[(6-bromo-3-pyridyl)methyl-isopropyl-amino]acetic acid2-(((6-Bromopyridin-3-yl)methyl)(isopropyl)amino)aceticacidGlycine, N-[(6-bromo-3-pyridinyl)methyl]-N-(1-methylethyl)-
Database identifiers
- CAS
1353977-69-1- PubChem CID
- 66568622
- DTXSID
DTXSID601188487
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 53.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 236
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Compound notes
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