methyl 4-hydroxy-1-[3-(4-methylphenyl)propanoyl]pyrrolidine-2-carboxylate

C16H21NO4 — CID 115970997

IUPACmethyl 4-hydroxy-1-[3-(4-methylphenyl)propanoyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CC(O)CN1C(=O)CCc1ccc(C)cc1
InChIInChI=1S/C16H21NO4/c1-11-3-5-12(6-4-11)7-8-15(19)17-10-13(18)9-14(17)16(20)21-2/h3-6,13-14,18H,7-10H2,1-2H3
InChIKeyMXGUEIZVCAHUHN-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.06
Rot. Bonds4

About methyl 4-hydroxy-1-[3-(4-methylphenyl)propanoyl]pyrrolidine-2-carboxylate

methyl 4-hydroxy-1-[3-(4-methylphenyl)propanoyl]pyrrolidine-2-carboxylate (PubChem CID 115970997) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is methyl 4-hydroxy-1-[3-(4-methylphenyl)propanoyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-hydroxy-1-[3-(4-methylphenyl)propanoyl]pyrrolidine-2-carboxylate
PubChem CID115970997
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Namemethyl 4-hydroxy-1-[3-(4-methylphenyl)propanoyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CC(O)CN1C(=O)CCc1ccc(C)cc1
InChIInChI=1S/C16H21NO4/c1-11-3-5-12(6-4-11)7-8-15(19)17-10-13(18)9-14(17)16(20)21-2/h3-6,13-14,18H,7-10H2,1-2H3
InChIKeyMXGUEIZVCAHUHN-UHFFFAOYSA-N
XLogP1.06
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 4-hydroxy-1-[3-(4-methylphenyl)propanoyl]pyrrolidine-2-carboxylate 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

methyl 4-hydroxy-1-(3-phenylpropanoyl)pyrrolidine-2-carboxylate
CID 115970990
methyl (2S,4S)-4-chloro-1-(3-phenylpropanoyl)pyrrolidine-2-carboxylate
CID 70092662
methyl 4-hydroxy-1-(4-methoxybutanoyl)pyrrolidine-2-carboxylate
CID 112632356
methyl 4-hydroxy-1-(4-thiophen-2-ylbutanoyl)pyrrolidine-2-carboxylate
CID 115971332
methyl 1-(2,4-dimethylbenzoyl)-4-hydroxypyrrolidine-2-carboxylate
CID 115971329
methyl 4-hydroxy-1-(2-pyridin-3-ylacetyl)pyrrolidine-2-carboxylate
CID 112632372
1-(3,4-dihydroxypyrrolidin-1-yl)-3-(4-methylphenyl)propan-1-one
CID 106670987
methyl 1-heptanoyl-4-hydroxypyrrolidine-2-carboxylate
CID 112632311
methyl 1-[3-(2,5-dioxopyrrolidin-1-yl)propanoyl]-4-hydroxypyrrolidine-2-carboxylate
CID 115971202
methyl 1-[3-(4-methylphenyl)propanoyl]piperidine-3-carboxylate
CID 78919193
methyl (2S,4S)-4-hydroxy-1-[4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoyl]pyrrolidine-2-carboxylate
CID 130286037
4-methyl-1-[3-(4-methylphenyl)propanoyl]piperidine-2-carboxylic acid
CID 114421761

Frequently Asked Questions

What is the IUPAC name of methyl 4-hydroxy-1-[3-(4-methylphenyl)propanoyl]pyrrolidine-2-carboxylate?
The IUPAC name of methyl 4-hydroxy-1-[3-(4-methylphenyl)propanoyl]pyrrolidine-2-carboxylate (CID 115970997) is methyl 4-hydroxy-1-[3-(4-methylphenyl)propanoyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 4-hydroxy-1-[3-(4-methylphenyl)propanoyl]pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 4-hydroxy-1-[3-(4-methylphenyl)propanoyl]pyrrolidine-2-carboxylate is COC(=O)C1CC(O)CN1C(=O)CCc1ccc(C)cc1.
What is the InChIKey of methyl 4-hydroxy-1-[3-(4-methylphenyl)propanoyl]pyrrolidine-2-carboxylate?
The InChIKey is MXGUEIZVCAHUHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4/c1-11-3-5-12(6-4-11)7-8-15(19)17-10-13(18)9-14(17)16(20)21-2/h3-6,13-14,18H,7-10H2,1-2H3.
What are the key properties of methyl 4-hydroxy-1-[3-(4-methylphenyl)propanoyl]pyrrolidine-2-carboxylate?
methyl 4-hydroxy-1-[3-(4-methylphenyl)propanoyl]pyrrolidine-2-carboxylate has a molecular weight of 291.35 g/mol, XLogP of 1.06, 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-(4-methylphenyl)propanoyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 115970997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).