methyl 4-hydroxy-1-(3-phenylpropanoyl)pyrrolidine-2-carboxylate

C15H19NO4 — CID 115970990

IUPACmethyl 4-hydroxy-1-(3-phenylpropanoyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CC(O)CN1C(=O)CCc1ccccc1
InChIInChI=1S/C15H19NO4/c1-20-15(19)13-9-12(17)10-16(13)14(18)8-7-11-5-3-2-4-6-11/h2-6,12-13,17H,7-10H2,1H3
InChIKeyICYRIWZHNWJSCF-UHFFFAOYSA-N
MW277.32 g/mol
LogP0.75
Rot. Bonds4

About methyl 4-hydroxy-1-(3-phenylpropanoyl)pyrrolidine-2-carboxylate

methyl 4-hydroxy-1-(3-phenylpropanoyl)pyrrolidine-2-carboxylate (PubChem CID 115970990) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is methyl 4-hydroxy-1-(3-phenylpropanoyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-hydroxy-1-(3-phenylpropanoyl)pyrrolidine-2-carboxylate
PubChem CID115970990
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Namemethyl 4-hydroxy-1-(3-phenylpropanoyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CC(O)CN1C(=O)CCc1ccccc1
InChIInChI=1S/C15H19NO4/c1-20-15(19)13-9-12(17)10-16(13)14(18)8-7-11-5-3-2-4-6-11/h2-6,12-13,17H,7-10H2,1H3
InChIKeyICYRIWZHNWJSCF-UHFFFAOYSA-N
XLogP0.75
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-hydroxy-1-[3-(4-methylphenyl)propanoyl]pyrrolidine-2-carboxylate
CID 115970997
methyl (2S,4S)-4-chloro-1-(3-phenylpropanoyl)pyrrolidine-2-carboxylate
CID 70092662
methyl (2S)-1-[2-[ethoxy(4-phenylbutyl)phosphoryl]acetyl]-4-hydroxypyrrolidine-2-carboxylate
CID 131712757
methyl 4-hydroxy-1-(4-thiophen-2-ylbutanoyl)pyrrolidine-2-carboxylate
CID 115971332
methyl 4-hydroxy-1-(2-phenylethylsulfonyl)pyrrolidine-2-carboxylate
CID 115971421
methyl 4-hydroxy-1-(2-pyridin-3-ylacetyl)pyrrolidine-2-carboxylate
CID 112632372
methyl (2S,4R)-4-hydroxy-1-[(2R)-4-phenyl-2-(phenylmethoxycarbonylamino)butanoyl]pyrrolidine-2-carboxylate
CID 58473947
ethane;methyl 1-(2,2-diphenylacetyl)-4-hydroxypyrrolidine-2-carboxylate
CID 145121615
methyl 4-hydroxy-1-(4-methoxybutanoyl)pyrrolidine-2-carboxylate
CID 112632356
4-hydroxy-1-(3-pyridin-3-ylpropanoyl)pyrrolidine-2-carboxylic acid
CID 43356906
methyl 4-hydroxy-1-(2-methoxy-2-phenylacetyl)pyrrolidine-2-carboxylate
CID 115971364
methyl 4-hydroxy-1-[2-(thiophen-2-ylmethylsulfanyl)acetyl]pyrrolidine-2-carboxylate
CID 115971009

Frequently Asked Questions

What is the IUPAC name of methyl 4-hydroxy-1-(3-phenylpropanoyl)pyrrolidine-2-carboxylate?
The IUPAC name of methyl 4-hydroxy-1-(3-phenylpropanoyl)pyrrolidine-2-carboxylate (CID 115970990) is methyl 4-hydroxy-1-(3-phenylpropanoyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 4-hydroxy-1-(3-phenylpropanoyl)pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 4-hydroxy-1-(3-phenylpropanoyl)pyrrolidine-2-carboxylate is COC(=O)C1CC(O)CN1C(=O)CCc1ccccc1.
What is the InChIKey of methyl 4-hydroxy-1-(3-phenylpropanoyl)pyrrolidine-2-carboxylate?
The InChIKey is ICYRIWZHNWJSCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-20-15(19)13-9-12(17)10-16(13)14(18)8-7-11-5-3-2-4-6-11/h2-6,12-13,17H,7-10H2,1H3.
What are the key properties of methyl 4-hydroxy-1-(3-phenylpropanoyl)pyrrolidine-2-carboxylate?
methyl 4-hydroxy-1-(3-phenylpropanoyl)pyrrolidine-2-carboxylate has a molecular weight of 277.32 g/mol, XLogP of 0.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-hydroxy-1-(3-phenylpropanoyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 115970990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).