(3R)-3-methoxycarbonyl-5-phenylpentanoic acid

C13H16O4 — CID 18652850

IUPAC(3R)-3-methoxycarbonyl-5-phenylpentanoic acid
SMILESCOC(=O)[C@H](CCc1ccccc1)CC(=O)O
InChIInChI=1S/C13H16O4/c1-17-13(16)11(9-12(14)15)8-7-10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3,(H,14,15)/t11-/m1/s1
InChIKeyRBIYDRNKEWDLSH-LLVKDONJSA-N
MW236.27 g/mol
LogP1.88
Rot. Bonds6

About (3R)-3-methoxycarbonyl-5-phenylpentanoic acid

(3R)-3-methoxycarbonyl-5-phenylpentanoic acid (PubChem CID 18652850) has the molecular formula C13H16O4 and a molecular weight of 236.27 g/mol. Its IUPAC name is (3R)-3-methoxycarbonyl-5-phenylpentanoic acid.

Molecular Properties

Compound Name(3R)-3-methoxycarbonyl-5-phenylpentanoic acid
PubChem CID18652850
Molecular FormulaC13H16O4
Molecular Weight236.27 g/mol
Exact Mass236.10
IUPAC Name(3R)-3-methoxycarbonyl-5-phenylpentanoic acid
SMILESCOC(=O)[C@H](CCc1ccccc1)CC(=O)O
InChIInChI=1S/C13H16O4/c1-17-13(16)11(9-12(14)15)8-7-10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3,(H,14,15)/t11-/m1/s1
InChIKeyRBIYDRNKEWDLSH-LLVKDONJSA-N
XLogP1.88
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3R)-3-methoxycarbonyl-5-phenylpentanoic acid with MolForge

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

Launch Full Analysis

Related Compounds

(3R)-3-methoxycarbonyl-6-phenylhexanoic acid
CID 67881908
methyl 4-oxo-2-(2-phenylethyl)pentanoate
CID 100937736
4-O-tert-butyl 1-O-methyl 2-(2-phenylethyl)butanedioate
CID 57301748
4-methoxycarbonyl-2-methyl-6-phenylhexanoic acid
CID 20548321
methyl 2-(ethylaminomethyl)-4-phenylbutanoate
CID 70089757
methyl (2S)-2-amino-4-phenylbutanoate
CID 10867190
methyl (2R)-2-hydroxy-4-phenylbutanoate
CID 10878023
3-[(dibenzylamino)methyl]-4-methoxy-4-oxobutanoic acid
CID 139720772
methyl 2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-4-phenylbutanoate
CID 156758863
methyl (2S)-2-(chloroamino)-4-phenylbutanoate
CID 121299211
acetic acid;methyl (2S)-2-amino-4-phenylbutanoate
CID 170899372
methyl 4-methyl-3-oxo-2-(2-phenylethyl)pentanoate
CID 18370896

Frequently Asked Questions

What is the IUPAC name of (3R)-3-methoxycarbonyl-5-phenylpentanoic acid?
The IUPAC name of (3R)-3-methoxycarbonyl-5-phenylpentanoic acid (CID 18652850) is (3R)-3-methoxycarbonyl-5-phenylpentanoic acid.
What is the SMILES notation for (3R)-3-methoxycarbonyl-5-phenylpentanoic acid?
The canonical SMILES for (3R)-3-methoxycarbonyl-5-phenylpentanoic acid is COC(=O)[C@H](CCc1ccccc1)CC(=O)O.
What is the InChIKey of (3R)-3-methoxycarbonyl-5-phenylpentanoic acid?
The InChIKey is RBIYDRNKEWDLSH-LLVKDONJSA-N. The full InChI is InChI=1S/C13H16O4/c1-17-13(16)11(9-12(14)15)8-7-10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3,(H,14,15)/t11-/m1/s1.
What are the key properties of (3R)-3-methoxycarbonyl-5-phenylpentanoic acid?
(3R)-3-methoxycarbonyl-5-phenylpentanoic acid has a molecular weight of 236.27 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methoxycarbonyl-5-phenylpentanoic acid is sourced from PubChem (CID 18652850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).