(2R,3S)-2-(benzhydrylamino)-3-phenylpent-4-enoic acid

C24H23NO2 — CID 101442853

IUPAC(2R,3S)-2-(benzhydrylamino)-3-phenylpent-4-enoic acid
SMILESC=C[C@@H](c1ccccc1)[C@@H](NC(c1ccccc1)c1ccccc1)C(=O)O
InChIInChI=1S/C24H23NO2/c1-2-21(18-12-6-3-7-13-18)23(24(26)27)25-22(19-14-8-4-9-15-19)20-16-10-5-11-17-20/h2-17,21-23,25H,1H2,(H,26,27)/t21-,23+/m0/s1
InChIKeyXUJBZUVLJGCSCB-JTHBVZDNSA-N
MW357.45 g/mol
LogP4.79
Rot. Bonds8

About (2R,3S)-2-(benzhydrylamino)-3-phenylpent-4-enoic acid

(2R,3S)-2-(benzhydrylamino)-3-phenylpent-4-enoic acid (PubChem CID 101442853) has the molecular formula C24H23NO2 and a molecular weight of 357.45 g/mol. Its IUPAC name is (2R,3S)-2-(benzhydrylamino)-3-phenylpent-4-enoic acid.

Molecular Properties

Compound Name(2R,3S)-2-(benzhydrylamino)-3-phenylpent-4-enoic acid
PubChem CID101442853
Molecular FormulaC24H23NO2
Molecular Weight357.45 g/mol
Exact Mass357.17
IUPAC Name(2R,3S)-2-(benzhydrylamino)-3-phenylpent-4-enoic acid
SMILESC=C[C@@H](c1ccccc1)[C@@H](NC(c1ccccc1)c1ccccc1)C(=O)O
InChIInChI=1S/C24H23NO2/c1-2-21(18-12-6-3-7-13-18)23(24(26)27)25-22(19-14-8-4-9-15-19)20-16-10-5-11-17-20/h2-17,21-23,25H,1H2,(H,26,27)/t21-,23+/m0/s1
InChIKeyXUJBZUVLJGCSCB-JTHBVZDNSA-N
XLogP4.79
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-(benzhydrylamino)-3-phenylpent-4-enoic acid?
The IUPAC name of (2R,3S)-2-(benzhydrylamino)-3-phenylpent-4-enoic acid (CID 101442853) is (2R,3S)-2-(benzhydrylamino)-3-phenylpent-4-enoic acid.
What is the SMILES notation for (2R,3S)-2-(benzhydrylamino)-3-phenylpent-4-enoic acid?
The canonical SMILES for (2R,3S)-2-(benzhydrylamino)-3-phenylpent-4-enoic acid is C=C[C@@H](c1ccccc1)[C@@H](NC(c1ccccc1)c1ccccc1)C(=O)O.
What is the InChIKey of (2R,3S)-2-(benzhydrylamino)-3-phenylpent-4-enoic acid?
The InChIKey is XUJBZUVLJGCSCB-JTHBVZDNSA-N. The full InChI is InChI=1S/C24H23NO2/c1-2-21(18-12-6-3-7-13-18)23(24(26)27)25-22(19-14-8-4-9-15-19)20-16-10-5-11-17-20/h2-17,21-23,25H,1H2,(H,26,27)/t21-,23+/m0/s1.
What are the key properties of (2R,3S)-2-(benzhydrylamino)-3-phenylpent-4-enoic acid?
(2R,3S)-2-(benzhydrylamino)-3-phenylpent-4-enoic acid has a molecular weight of 357.45 g/mol, XLogP of 4.79, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-(benzhydrylamino)-3-phenylpent-4-enoic acid is sourced from PubChem (CID 101442853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).