methyl (2R)-3-phenyl-2-(5-phenylmethoxypentanoylamino)propanoate

C22H27NO4 — CID 170714052

IUPACmethyl (2R)-3-phenyl-2-(5-phenylmethoxypentanoylamino)propanoate
SMILESCOC(=O)[C@@H](Cc1ccccc1)NC(=O)CCCCOCc1ccccc1
InChIInChI=1S/C22H27NO4/c1-26-22(25)20(16-18-10-4-2-5-11-18)23-21(24)14-8-9-15-27-17-19-12-6-3-7-13-19/h2-7,10-13,20H,8-9,14-17H2,1H3,(H,23,24)/t20-/m1/s1
InChIKeyAGDREKVWAYGGCD-HXUWFJFHSA-N
MW369.46 g/mol
LogP3.27
Rot. Bonds11

About methyl (2R)-3-phenyl-2-(5-phenylmethoxypentanoylamino)propanoate

methyl (2R)-3-phenyl-2-(5-phenylmethoxypentanoylamino)propanoate (PubChem CID 170714052) has the molecular formula C22H27NO4 and a molecular weight of 369.46 g/mol. Its IUPAC name is methyl (2R)-3-phenyl-2-(5-phenylmethoxypentanoylamino)propanoate.

Molecular Properties

Compound Namemethyl (2R)-3-phenyl-2-(5-phenylmethoxypentanoylamino)propanoate
PubChem CID170714052
Molecular FormulaC22H27NO4
Molecular Weight369.46 g/mol
Exact Mass369.19
IUPAC Namemethyl (2R)-3-phenyl-2-(5-phenylmethoxypentanoylamino)propanoate
SMILESCOC(=O)[C@@H](Cc1ccccc1)NC(=O)CCCCOCc1ccccc1
InChIInChI=1S/C22H27NO4/c1-26-22(25)20(16-18-10-4-2-5-11-18)23-21(24)14-8-9-15-27-17-19-12-6-3-7-13-19/h2-7,10-13,20H,8-9,14-17H2,1H3,(H,23,24)/t20-/m1/s1
InChIKeyAGDREKVWAYGGCD-HXUWFJFHSA-N
XLogP3.27
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.46
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-6-oxohexanoic acid
CID 163407486
(2R)-3-phenyl-2-(4-phenylmethoxybutanoylamino)propanoic acid
CID 119366917
methyl 2-(5-hydroxypentanoylamino)-3-phenylpropanoate
CID 79198729
3-phenyl-2-(4-phenylmethoxybutanoylamino)propanoic acid
CID 119165871
methyl 3-phenyl-2-(tetradecanoylamino)propanoate
CID 54789812
methyl 2-(octanoylamino)-3-phenylpropanoate
CID 531518
methyl (2R)-2-(4-hydroxybutanoylamino)-3-phenylpropanoate
CID 170714633
methyl (2S)-2-(3-methoxypropanoylamino)-3-phenylpropanoate
CID 146266901
methyl (2S)-2-[[5-oxo-5-(4-phenylmethoxyanilino)pentanoyl]amino]-3-phenylpropanoate
CID 41263642
(2S)-4-methyl-2-(4-phenylmethoxybutanoylamino)pentanoic acid
CID 119360898
methyl (2S)-2-[[4-(butylamino)-4-oxobutanoyl]amino]-3-phenylpropanoate
CID 7326220
tetradecyl (2S)-2-(hexadecanoylamino)-3-phenylmethoxypropanoate
CID 156633534

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-3-phenyl-2-(5-phenylmethoxypentanoylamino)propanoate?
The IUPAC name of methyl (2R)-3-phenyl-2-(5-phenylmethoxypentanoylamino)propanoate (CID 170714052) is methyl (2R)-3-phenyl-2-(5-phenylmethoxypentanoylamino)propanoate.
What is the SMILES notation for methyl (2R)-3-phenyl-2-(5-phenylmethoxypentanoylamino)propanoate?
The canonical SMILES for methyl (2R)-3-phenyl-2-(5-phenylmethoxypentanoylamino)propanoate is COC(=O)[C@@H](Cc1ccccc1)NC(=O)CCCCOCc1ccccc1.
What is the InChIKey of methyl (2R)-3-phenyl-2-(5-phenylmethoxypentanoylamino)propanoate?
The InChIKey is AGDREKVWAYGGCD-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H27NO4/c1-26-22(25)20(16-18-10-4-2-5-11-18)23-21(24)14-8-9-15-27-17-19-12-6-3-7-13-19/h2-7,10-13,20H,8-9,14-17H2,1H3,(H,23,24)/t20-/m1/s1.
What are the key properties of methyl (2R)-3-phenyl-2-(5-phenylmethoxypentanoylamino)propanoate?
methyl (2R)-3-phenyl-2-(5-phenylmethoxypentanoylamino)propanoate has a molecular weight of 369.46 g/mol, XLogP of 3.27, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-3-phenyl-2-(5-phenylmethoxypentanoylamino)propanoate is sourced from PubChem (CID 170714052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).