3-[4-[(2R,4R)-4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]propanoic acid

C18H25NO5 — CID 142084366

IUPAC3-[4-[(2R,4R)-4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]propanoic acid
SMILESCC(C)(C)OC(=O)N1C[C@H](O)C[C@@H]1c1ccc(CCC(=O)O)cc1
InChIInChI=1S/C18H25NO5/c1-18(2,3)24-17(23)19-11-14(20)10-15(19)13-7-4-12(5-8-13)6-9-16(21)22/h4-5,7-8,14-15,20H,6,9-11H2,1-3H3,(H,21,22)/t14-,15-/m1/s1
InChIKeyFGPZEILASAOWEY-HUUCEWRRSA-N
MW335.40 g/mol
LogP2.75
Rot. Bonds4

About 3-[4-[(2R,4R)-4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]propanoic acid

3-[4-[(2R,4R)-4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]propanoic acid (PubChem CID 142084366) has the molecular formula C18H25NO5 and a molecular weight of 335.40 g/mol. Its IUPAC name is 3-[4-[(2R,4R)-4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]propanoic acid.

Molecular Properties

Compound Name3-[4-[(2R,4R)-4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]propanoic acid
PubChem CID142084366
Molecular FormulaC18H25NO5
Molecular Weight335.40 g/mol
Exact Mass335.17
IUPAC Name3-[4-[(2R,4R)-4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]propanoic acid
SMILESCC(C)(C)OC(=O)N1C[C@H](O)C[C@@H]1c1ccc(CCC(=O)O)cc1
InChIInChI=1S/C18H25NO5/c1-18(2,3)24-17(23)19-11-14(20)10-15(19)13-7-4-12(5-8-13)6-9-16(21)22/h4-5,7-8,14-15,20H,6,9-11H2,1-3H3,(H,21,22)/t14-,15-/m1/s1
InChIKeyFGPZEILASAOWEY-HUUCEWRRSA-N
XLogP2.75
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[4-[(2R,4R)-4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]propanoic 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

Preussin G
CID 145971659
Preussin E
CID 145975830
Preussin F
CID 145976597
(4S)-3-[(2S,3S)-4-benzyl-3-hydroxy-2-methylpent-4-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 49846980
(4S,5R)-3-(tert-Butoxycarbonyl)-2,2-dimethyl-4-phenyl-1,3-oxazolidine-5-carboxylic acid
CID 10969286
7-[(2S)-2-[(3S)-3-hydroxy-5-phenylpentyl]-5-oxopyrrolidin-1-yl]heptanoic acid
CID 71458060
Preussin D
CID 145964947
Preubetain C
CID 145975733
(4S)-4-benzyl-3-[(2S,3S)-3-hydroxy-2-methyl-4-methylidenenonanoyl]-1,3-oxazolidin-2-one
CID 49846983
(4S)-4-benzyl-3-[(2R,3S)-3-hydroxy-2-methyl-4-methylidenenonanoyl]-1,3-oxazolidin-2-one
CID 49847056
1-[(2S,4R)-4-hydroxy-2-phenylpyrrolidin-1-yl]-2,2-dimethylbutan-1-one
CID 121446477
(2S,5R)-1-[(tert-butoxy)carbonyl]-5-phenylpyrrolidine-2-carboxylic acid
CID 2755972

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(2R,4R)-4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]propanoic acid?
The IUPAC name of 3-[4-[(2R,4R)-4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]propanoic acid (CID 142084366) is 3-[4-[(2R,4R)-4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]propanoic acid.
What is the SMILES notation for 3-[4-[(2R,4R)-4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]propanoic acid?
The canonical SMILES for 3-[4-[(2R,4R)-4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]propanoic acid is CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H]1c1ccc(CCC(=O)O)cc1.
What is the InChIKey of 3-[4-[(2R,4R)-4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]propanoic acid?
The InChIKey is FGPZEILASAOWEY-HUUCEWRRSA-N. The full InChI is InChI=1S/C18H25NO5/c1-18(2,3)24-17(23)19-11-14(20)10-15(19)13-7-4-12(5-8-13)6-9-16(21)22/h4-5,7-8,14-15,20H,6,9-11H2,1-3H3,(H,21,22)/t14-,15-/m1/s1.
What are the key properties of 3-[4-[(2R,4R)-4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]propanoic acid?
3-[4-[(2R,4R)-4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]propanoic acid has a molecular weight of 335.40 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(2R,4R)-4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]propanoic acid is sourced from PubChem (CID 142084366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).