methyl (2S)-2-(benzhydrylideneamino)propanoate

C17H17NO2 — CID 11119053

IUPACmethyl (2S)-2-(benzhydrylideneamino)propanoate
SMILESCOC(=O)[C@H](C)N=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H17NO2/c1-13(17(19)20-2)18-16(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-13H,1-2H3/t13-/m0/s1
InChIKeyJRWHHNOBMTWAPR-ZDUSSCGKSA-N
MW267.33 g/mol
LogP3.09
Rot. Bonds4

About methyl (2S)-2-(benzhydrylideneamino)propanoate

methyl (2S)-2-(benzhydrylideneamino)propanoate (PubChem CID 11119053) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is methyl (2S)-2-(benzhydrylideneamino)propanoate.

Molecular Properties

Compound Namemethyl (2S)-2-(benzhydrylideneamino)propanoate
PubChem CID11119053
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Namemethyl (2S)-2-(benzhydrylideneamino)propanoate
SMILESCOC(=O)[C@H](C)N=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H17NO2/c1-13(17(19)20-2)18-16(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-13H,1-2H3/t13-/m0/s1
InChIKeyJRWHHNOBMTWAPR-ZDUSSCGKSA-N
XLogP3.09
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-(benzhydrylideneamino)propanoate?
The IUPAC name of methyl (2S)-2-(benzhydrylideneamino)propanoate (CID 11119053) is methyl (2S)-2-(benzhydrylideneamino)propanoate.
What is the SMILES notation for methyl (2S)-2-(benzhydrylideneamino)propanoate?
The canonical SMILES for methyl (2S)-2-(benzhydrylideneamino)propanoate is COC(=O)[C@H](C)N=C(c1ccccc1)c1ccccc1.
What is the InChIKey of methyl (2S)-2-(benzhydrylideneamino)propanoate?
The InChIKey is JRWHHNOBMTWAPR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H17NO2/c1-13(17(19)20-2)18-16(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-13H,1-2H3/t13-/m0/s1.
What are the key properties of methyl (2S)-2-(benzhydrylideneamino)propanoate?
methyl (2S)-2-(benzhydrylideneamino)propanoate has a molecular weight of 267.33 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-(benzhydrylideneamino)propanoate is sourced from PubChem (CID 11119053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).