N-{4-[(Pyrimidin-2-yl)amino]benzoyl}-L-glutamic acid

HCID 57728787CAS 920287-43-0
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Basic information

Standard SMILES
O=C(O)CC[C@H](NC(=O)c1ccc(Nc2ncccn2)cc1)C(=O)O
InChIKey
BGFRREIQPMONTF-LBPRGKRZSA-N
Molecular formula
C16H16N4O5
Average molar mass
344.32 g/mol
Monoisotopic mass
344.11206961

Names & identifiers

Preferred name
N-{4-[(Pyrimidin-2-yl)amino]benzoyl}-L-glutamic acid
IUPAC
(2S)-2-[[4-(pyrimidin-2-ylamino)benzoyl]amino]pentanedioic acid

Names & synonyms

920287-43-0N-{4-[(Pyrimidin-2-yl)amino]benzoyl}-L-glutamic acid(S)-2-(4-(Pyrimidin-2-ylamino)benzamido)pentanedioic acidSCHEMBL2253052DTXSID70727777BGFRREIQPMONTF-LBPRGKRZSA-NN-[4-(pyrimidin-2-ylamino)benzoyl]-L-glutamic acid

Database identifiers

CAS
920287-43-0
PubChem CID
57728787
DTXSID
DTXSID70727777

Properties

Computed structural properties

XLogP
0.8
Topological polar surface area
142 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
8
Rotatable bonds
8
Heavy atoms
25

Related reactions

2 records
New reaction record

Linked notes

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