tert-butyl 3-[bis[(1R)-1-phenylethyl]amino]butanoate

C24H33NO2 — CID 135005987

IUPACtert-butyl 3-[bis[(1R)-1-phenylethyl]amino]butanoate
SMILESCC(CC(=O)OC(C)(C)C)N([C@H](C)c1ccccc1)[C@H](C)c1ccccc1
InChIInChI=1S/C24H33NO2/c1-18(17-23(26)27-24(4,5)6)25(19(2)21-13-9-7-10-14-21)20(3)22-15-11-8-12-16-22/h7-16,18-20H,17H2,1-6H3/t18?,19-,20-/m1/s1
InChIKeySOINKMGMSPHILM-FXJNCMGBSA-N
MW367.53 g/mol
LogP5.93
Rot. Bonds7

About tert-butyl 3-[bis[(1R)-1-phenylethyl]amino]butanoate

tert-butyl 3-[bis[(1R)-1-phenylethyl]amino]butanoate (PubChem CID 135005987) has the molecular formula C24H33NO2 and a molecular weight of 367.53 g/mol. Its IUPAC name is tert-butyl 3-[bis[(1R)-1-phenylethyl]amino]butanoate.

Molecular Properties

Compound Nametert-butyl 3-[bis[(1R)-1-phenylethyl]amino]butanoate
PubChem CID135005987
Molecular FormulaC24H33NO2
Molecular Weight367.53 g/mol
Exact Mass367.25
IUPAC Nametert-butyl 3-[bis[(1R)-1-phenylethyl]amino]butanoate
SMILESCC(CC(=O)OC(C)(C)C)N([C@H](C)c1ccccc1)[C@H](C)c1ccccc1
InChIInChI=1S/C24H33NO2/c1-18(17-23(26)27-24(4,5)6)25(19(2)21-13-9-7-10-14-21)20(3)22-15-11-8-12-16-22/h7-16,18-20H,17H2,1-6H3/t18?,19-,20-/m1/s1
InChIKeySOINKMGMSPHILM-FXJNCMGBSA-N
XLogP5.93
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.53
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze tert-butyl 3-[bis[(1R)-1-phenylethyl]amino]butanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[bis[(1R)-1-phenylethyl]amino]butanoate?
The IUPAC name of tert-butyl 3-[bis[(1R)-1-phenylethyl]amino]butanoate (CID 135005987) is tert-butyl 3-[bis[(1R)-1-phenylethyl]amino]butanoate.
What is the SMILES notation for tert-butyl 3-[bis[(1R)-1-phenylethyl]amino]butanoate?
The canonical SMILES for tert-butyl 3-[bis[(1R)-1-phenylethyl]amino]butanoate is CC(CC(=O)OC(C)(C)C)N([C@H](C)c1ccccc1)[C@H](C)c1ccccc1.
What is the InChIKey of tert-butyl 3-[bis[(1R)-1-phenylethyl]amino]butanoate?
The InChIKey is SOINKMGMSPHILM-FXJNCMGBSA-N. The full InChI is InChI=1S/C24H33NO2/c1-18(17-23(26)27-24(4,5)6)25(19(2)21-13-9-7-10-14-21)20(3)22-15-11-8-12-16-22/h7-16,18-20H,17H2,1-6H3/t18?,19-,20-/m1/s1.
What are the key properties of tert-butyl 3-[bis[(1R)-1-phenylethyl]amino]butanoate?
tert-butyl 3-[bis[(1R)-1-phenylethyl]amino]butanoate has a molecular weight of 367.53 g/mol, XLogP of 5.93, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[bis[(1R)-1-phenylethyl]amino]butanoate is sourced from PubChem (CID 135005987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).