methyl (3S)-5-phenyl-3-[[(1R)-1-phenylethyl]amino]pentanoate

C20H25NO2 — CID 70071367

IUPACmethyl (3S)-5-phenyl-3-[[(1R)-1-phenylethyl]amino]pentanoate
SMILESCOC(=O)C[C@H](CCc1ccccc1)N[C@H](C)c1ccccc1
InChIInChI=1S/C20H25NO2/c1-16(18-11-7-4-8-12-18)21-19(15-20(22)23-2)14-13-17-9-5-3-6-10-17/h3-12,16,19,21H,13-15H2,1-2H3/t16-,19+/m1/s1
InChIKeyCZWLNBKBOFLLMK-APWZRJJASA-N
MW311.43 g/mol
LogP3.90
Rot. Bonds8

About methyl (3S)-5-phenyl-3-[[(1R)-1-phenylethyl]amino]pentanoate

methyl (3S)-5-phenyl-3-[[(1R)-1-phenylethyl]amino]pentanoate (PubChem CID 70071367) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is methyl (3S)-5-phenyl-3-[[(1R)-1-phenylethyl]amino]pentanoate.

Molecular Properties

Compound Namemethyl (3S)-5-phenyl-3-[[(1R)-1-phenylethyl]amino]pentanoate
PubChem CID70071367
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC Namemethyl (3S)-5-phenyl-3-[[(1R)-1-phenylethyl]amino]pentanoate
SMILESCOC(=O)C[C@H](CCc1ccccc1)N[C@H](C)c1ccccc1
InChIInChI=1S/C20H25NO2/c1-16(18-11-7-4-8-12-18)21-19(15-20(22)23-2)14-13-17-9-5-3-6-10-17/h3-12,16,19,21H,13-15H2,1-2H3/t16-,19+/m1/s1
InChIKeyCZWLNBKBOFLLMK-APWZRJJASA-N
XLogP3.90
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

dimethyl (3R)-3-[[(1S)-1-phenylethyl]amino]heptanedioate
CID 11822956
(2S)-4-phenyl-N-[(1R)-1-phenylethyl]butan-2-amine
CID 12814796
methyl (3S)-3-hydroxy-5-phenylpentanoate
CID 11745842
methyl 4-[3-[[(1S)-1-phenylethyl]amino]butyl]benzoate
CID 22823575
methyl 2-[3-[(2R)-2-[[(1R)-1-phenylethyl]amino]propyl]phenyl]acetate
CID 46938717
N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-phenylbutan-2-amine
CID 81367480
trimethyl 2-(2-phenylethyl)propane-1,1,3-tricarboxylate
CID 101233884
4-(4-methoxyphenyl)-N-(1-phenylethyl)butan-2-amine
CID 19981570
N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-phenylbutan-2-amine
CID 81368068
4-(4-methoxyphenyl)-N-[(1R)-1-phenylethyl]butan-2-amine
CID 81350768
N-methyl-4-[(3S)-3-[[(1S)-1-phenylethyl]amino]butyl]benzamide
CID 56997578
methyl 2-[3-[(2R)-2-[[(1R)-1-phenylethyl]amino]propyl]phenyl]acetate;hydrochloride
CID 46938908

Frequently Asked Questions

What is the IUPAC name of methyl (3S)-5-phenyl-3-[[(1R)-1-phenylethyl]amino]pentanoate?
The IUPAC name of methyl (3S)-5-phenyl-3-[[(1R)-1-phenylethyl]amino]pentanoate (CID 70071367) is methyl (3S)-5-phenyl-3-[[(1R)-1-phenylethyl]amino]pentanoate.
What is the SMILES notation for methyl (3S)-5-phenyl-3-[[(1R)-1-phenylethyl]amino]pentanoate?
The canonical SMILES for methyl (3S)-5-phenyl-3-[[(1R)-1-phenylethyl]amino]pentanoate is COC(=O)C[C@H](CCc1ccccc1)N[C@H](C)c1ccccc1.
What is the InChIKey of methyl (3S)-5-phenyl-3-[[(1R)-1-phenylethyl]amino]pentanoate?
The InChIKey is CZWLNBKBOFLLMK-APWZRJJASA-N. The full InChI is InChI=1S/C20H25NO2/c1-16(18-11-7-4-8-12-18)21-19(15-20(22)23-2)14-13-17-9-5-3-6-10-17/h3-12,16,19,21H,13-15H2,1-2H3/t16-,19+/m1/s1.
What are the key properties of methyl (3S)-5-phenyl-3-[[(1R)-1-phenylethyl]amino]pentanoate?
methyl (3S)-5-phenyl-3-[[(1R)-1-phenylethyl]amino]pentanoate has a molecular weight of 311.43 g/mol, XLogP of 3.90, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3S)-5-phenyl-3-[[(1R)-1-phenylethyl]amino]pentanoate is sourced from PubChem (CID 70071367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).