methyl 2-[(4S,5R)-5-carbamoyl-4-phenylpyrrolidin-3-yl]benzoate

C19H20N2O3 — CID 118089264

IUPACmethyl 2-[(4S,5R)-5-carbamoyl-4-phenylpyrrolidin-3-yl]benzoate
SMILESCOC(=O)c1ccccc1C1CN[C@@H](C(N)=O)[C@@H]1c1ccccc1
InChIInChI=1S/C19H20N2O3/c1-24-19(23)14-10-6-5-9-13(14)15-11-21-17(18(20)22)16(15)12-7-3-2-4-8-12/h2-10,15-17,21H,11H2,1H3,(H2,20,22)/t15?,16-,17-/m1/s1
InChIKeyNLBOCTIJGPPQAJ-YJEKIOLLSA-N
MW324.38 g/mol
LogP1.80
Rot. Bonds4

About methyl 2-[(4S,5R)-5-carbamoyl-4-phenylpyrrolidin-3-yl]benzoate

methyl 2-[(4S,5R)-5-carbamoyl-4-phenylpyrrolidin-3-yl]benzoate (PubChem CID 118089264) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is methyl 2-[(4S,5R)-5-carbamoyl-4-phenylpyrrolidin-3-yl]benzoate.

Molecular Properties

Compound Namemethyl 2-[(4S,5R)-5-carbamoyl-4-phenylpyrrolidin-3-yl]benzoate
PubChem CID118089264
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Namemethyl 2-[(4S,5R)-5-carbamoyl-4-phenylpyrrolidin-3-yl]benzoate
SMILESCOC(=O)c1ccccc1C1CN[C@@H](C(N)=O)[C@@H]1c1ccccc1
InChIInChI=1S/C19H20N2O3/c1-24-19(23)14-10-6-5-9-13(14)15-11-21-17(18(20)22)16(15)12-7-3-2-4-8-12/h2-10,15-17,21H,11H2,1H3,(H2,20,22)/t15?,16-,17-/m1/s1
InChIKeyNLBOCTIJGPPQAJ-YJEKIOLLSA-N
XLogP1.80
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4S,5R)-5-carbamoyl-4-phenylpyrrolidin-3-yl]benzoate?
The IUPAC name of methyl 2-[(4S,5R)-5-carbamoyl-4-phenylpyrrolidin-3-yl]benzoate (CID 118089264) is methyl 2-[(4S,5R)-5-carbamoyl-4-phenylpyrrolidin-3-yl]benzoate.
What is the SMILES notation for methyl 2-[(4S,5R)-5-carbamoyl-4-phenylpyrrolidin-3-yl]benzoate?
The canonical SMILES for methyl 2-[(4S,5R)-5-carbamoyl-4-phenylpyrrolidin-3-yl]benzoate is COC(=O)c1ccccc1C1CN[C@@H](C(N)=O)[C@@H]1c1ccccc1.
What is the InChIKey of methyl 2-[(4S,5R)-5-carbamoyl-4-phenylpyrrolidin-3-yl]benzoate?
The InChIKey is NLBOCTIJGPPQAJ-YJEKIOLLSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-24-19(23)14-10-6-5-9-13(14)15-11-21-17(18(20)22)16(15)12-7-3-2-4-8-12/h2-10,15-17,21H,11H2,1H3,(H2,20,22)/t15?,16-,17-/m1/s1.
What are the key properties of methyl 2-[(4S,5R)-5-carbamoyl-4-phenylpyrrolidin-3-yl]benzoate?
methyl 2-[(4S,5R)-5-carbamoyl-4-phenylpyrrolidin-3-yl]benzoate has a molecular weight of 324.38 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4S,5R)-5-carbamoyl-4-phenylpyrrolidin-3-yl]benzoate is sourced from PubChem (CID 118089264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).