[(1R,2S)-2-(methylamino)-1-phenylpropyl] 4-oxopentanoate

C15H21NO3 — CID 25021608

IUPAC[(1R,2S)-2-(methylamino)-1-phenylpropyl] 4-oxopentanoate
SMILESCN[C@@H](C)[C@H](OC(=O)CCC(C)=O)c1ccccc1
InChIInChI=1S/C15H21NO3/c1-11(17)9-10-14(18)19-15(12(2)16-3)13-7-5-4-6-8-13/h4-8,12,15-16H,9-10H2,1-3H3/t12-,15-/m0/s1
InChIKeySDERVCYTJVOPPI-WFASDCNBSA-N
MW263.34 g/mol
LogP2.25
Rot. Bonds7

About [(1R,2S)-2-(methylamino)-1-phenylpropyl] 4-oxopentanoate

[(1R,2S)-2-(methylamino)-1-phenylpropyl] 4-oxopentanoate (PubChem CID 25021608) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is [(1R,2S)-2-(methylamino)-1-phenylpropyl] 4-oxopentanoate.

Molecular Properties

Compound Name[(1R,2S)-2-(methylamino)-1-phenylpropyl] 4-oxopentanoate
PubChem CID25021608
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name[(1R,2S)-2-(methylamino)-1-phenylpropyl] 4-oxopentanoate
SMILESCN[C@@H](C)[C@H](OC(=O)CCC(C)=O)c1ccccc1
InChIInChI=1S/C15H21NO3/c1-11(17)9-10-14(18)19-15(12(2)16-3)13-7-5-4-6-8-13/h4-8,12,15-16H,9-10H2,1-3H3/t12-,15-/m0/s1
InChIKeySDERVCYTJVOPPI-WFASDCNBSA-N
XLogP2.25
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(1R,2S)-2-(methylamino)-1-phenylpropyl] 4-oxopentanoate 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 [(1R,2S)-2-(methylamino)-1-phenylpropyl] 4-oxopentanoate?
The IUPAC name of [(1R,2S)-2-(methylamino)-1-phenylpropyl] 4-oxopentanoate (CID 25021608) is [(1R,2S)-2-(methylamino)-1-phenylpropyl] 4-oxopentanoate.
What is the SMILES notation for [(1R,2S)-2-(methylamino)-1-phenylpropyl] 4-oxopentanoate?
The canonical SMILES for [(1R,2S)-2-(methylamino)-1-phenylpropyl] 4-oxopentanoate is CN[C@@H](C)[C@H](OC(=O)CCC(C)=O)c1ccccc1.
What is the InChIKey of [(1R,2S)-2-(methylamino)-1-phenylpropyl] 4-oxopentanoate?
The InChIKey is SDERVCYTJVOPPI-WFASDCNBSA-N. The full InChI is InChI=1S/C15H21NO3/c1-11(17)9-10-14(18)19-15(12(2)16-3)13-7-5-4-6-8-13/h4-8,12,15-16H,9-10H2,1-3H3/t12-,15-/m0/s1.
What are the key properties of [(1R,2S)-2-(methylamino)-1-phenylpropyl] 4-oxopentanoate?
[(1R,2S)-2-(methylamino)-1-phenylpropyl] 4-oxopentanoate has a molecular weight of 263.34 g/mol, XLogP of 2.25, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S)-2-(methylamino)-1-phenylpropyl] 4-oxopentanoate is sourced from PubChem (CID 25021608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).