N-benzyl-1-phenylmethanamine;2,3-dihydroxybutanedioic acid

C18H21NO6 — CID 175540511

IUPACN-benzyl-1-phenylmethanamine;2,3-dihydroxybutanedioic acid
SMILESO=C(O)C(O)C(O)C(=O)O.c1ccc(CNCc2ccccc2)cc1
InChIInChI=1S/C14H15N.C4H6O6/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14;5-1(3(7)8)2(6)4(9)10/h1-10,15H,11-12H2;1-2,5-6H,(H,7,8)(H,9,10)
InChIKeyZVXSCDQFYGKQBM-UHFFFAOYSA-N
MW347.37 g/mol
LogP0.85
Rot. Bonds7

About N-benzyl-1-phenylmethanamine;2,3-dihydroxybutanedioic acid

N-benzyl-1-phenylmethanamine;2,3-dihydroxybutanedioic acid (PubChem CID 175540511) has the molecular formula C18H21NO6 and a molecular weight of 347.37 g/mol. Its IUPAC name is N-benzyl-1-phenylmethanamine;2,3-dihydroxybutanedioic acid.

Molecular Properties

Compound NameN-benzyl-1-phenylmethanamine;2,3-dihydroxybutanedioic acid
PubChem CID175540511
Molecular FormulaC18H21NO6
Molecular Weight347.37 g/mol
Exact Mass347.14
IUPAC NameN-benzyl-1-phenylmethanamine;2,3-dihydroxybutanedioic acid
SMILESO=C(O)C(O)C(O)C(=O)O.c1ccc(CNCc2ccccc2)cc1
InChIInChI=1S/C14H15N.C4H6O6/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14;5-1(3(7)8)2(6)4(9)10/h1-10,15H,11-12H2;1-2,5-6H,(H,7,8)(H,9,10)
InChIKeyZVXSCDQFYGKQBM-UHFFFAOYSA-N
XLogP0.85
TPSA127.09 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 50.85
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzylhydroxylamine;2,3-dihydroxybutanedioic acid
CID 162320499
bis(N-methyl-1-phenylmethanamine);(2S,3S,4S,5R)-2,3,4,5-tetrahydroxyhexanedioic acid
CID 173404118
N-benzyl-1-phenylmethanamine;hydrate
CID 173452781
3-(benzylamino)-2-hydroxy-3-phenylpropanoic acid
CID 21219515
2-amino-2-[4-[(benzylamino)methyl]phenyl]acetic acid
CID 22326285
(2R,3S)-3-(benzylamino)-2-hydroxy-3-phenylpropanoic acid
CID 18655941
2-(benzylamino)-2-hydroxyacetic acid
CID 163519207
(2R,3S)-3-(benzylamino)-2-hydroxy-3-phenylpropanoic acid;hydrate
CID 172680795
N-benzyl-1-phenylmethanamine;λ2-stannane;hydrochloride
CID 174862297
6-(benzylamino)-2-hydroxyhexanoic acid
CID 42613185
(2S,3R)-2,3-dihydroxy-4-phenylbutanoic acid
CID 123932531
1,1'-biphenyl;2,3-dihydroxybutanedioic acid
CID 70563433

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-phenylmethanamine;2,3-dihydroxybutanedioic acid?
The IUPAC name of N-benzyl-1-phenylmethanamine;2,3-dihydroxybutanedioic acid (CID 175540511) is N-benzyl-1-phenylmethanamine;2,3-dihydroxybutanedioic acid.
What is the SMILES notation for N-benzyl-1-phenylmethanamine;2,3-dihydroxybutanedioic acid?
The canonical SMILES for N-benzyl-1-phenylmethanamine;2,3-dihydroxybutanedioic acid is O=C(O)C(O)C(O)C(=O)O.c1ccc(CNCc2ccccc2)cc1.
What is the InChIKey of N-benzyl-1-phenylmethanamine;2,3-dihydroxybutanedioic acid?
The InChIKey is ZVXSCDQFYGKQBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N.C4H6O6/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14;5-1(3(7)8)2(6)4(9)10/h1-10,15H,11-12H2;1-2,5-6H,(H,7,8)(H,9,10).
What are the key properties of N-benzyl-1-phenylmethanamine;2,3-dihydroxybutanedioic acid?
N-benzyl-1-phenylmethanamine;2,3-dihydroxybutanedioic acid has a molecular weight of 347.37 g/mol, XLogP of 0.85, 7 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-phenylmethanamine;2,3-dihydroxybutanedioic acid is sourced from PubChem (CID 175540511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).