benzyl 2-[(3-hydroxyphenyl)carbamoyl]pyrrolidine-1-carboxylate

C19H20N2O4 — CID 3243156

IUPACbenzyl 2-[(3-hydroxyphenyl)carbamoyl]pyrrolidine-1-carboxylate
SMILESO=C(Nc1cccc(O)c1)C1CCCN1C(=O)OCc1ccccc1
InChIInChI=1S/C19H20N2O4/c22-16-9-4-8-15(12-16)20-18(23)17-10-5-11-21(17)19(24)25-13-14-6-2-1-3-7-14/h1-4,6-9,12,17,22H,5,10-11,13H2,(H,20,23)
InChIKeyULJIZKXPIDHXOD-UHFFFAOYSA-N
MW340.38 g/mol
LogP3.13
Rot. Bonds4

About benzyl 2-[(3-hydroxyphenyl)carbamoyl]pyrrolidine-1-carboxylate

benzyl 2-[(3-hydroxyphenyl)carbamoyl]pyrrolidine-1-carboxylate (PubChem CID 3243156) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is benzyl 2-[(3-hydroxyphenyl)carbamoyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 2-[(3-hydroxyphenyl)carbamoyl]pyrrolidine-1-carboxylate
PubChem CID3243156
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Namebenzyl 2-[(3-hydroxyphenyl)carbamoyl]pyrrolidine-1-carboxylate
SMILESO=C(Nc1cccc(O)c1)C1CCCN1C(=O)OCc1ccccc1
InChIInChI=1S/C19H20N2O4/c22-16-9-4-8-15(12-16)20-18(23)17-10-5-11-21(17)19(24)25-13-14-6-2-1-3-7-14/h1-4,6-9,12,17,22H,5,10-11,13H2,(H,20,23)
InChIKeyULJIZKXPIDHXOD-UHFFFAOYSA-N
XLogP3.13
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of benzyl 2-[(3-hydroxyphenyl)carbamoyl]pyrrolidine-1-carboxylate?
The IUPAC name of benzyl 2-[(3-hydroxyphenyl)carbamoyl]pyrrolidine-1-carboxylate (CID 3243156) is benzyl 2-[(3-hydroxyphenyl)carbamoyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for benzyl 2-[(3-hydroxyphenyl)carbamoyl]pyrrolidine-1-carboxylate?
The canonical SMILES for benzyl 2-[(3-hydroxyphenyl)carbamoyl]pyrrolidine-1-carboxylate is O=C(Nc1cccc(O)c1)C1CCCN1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl 2-[(3-hydroxyphenyl)carbamoyl]pyrrolidine-1-carboxylate?
The InChIKey is ULJIZKXPIDHXOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c22-16-9-4-8-15(12-16)20-18(23)17-10-5-11-21(17)19(24)25-13-14-6-2-1-3-7-14/h1-4,6-9,12,17,22H,5,10-11,13H2,(H,20,23).
What are the key properties of benzyl 2-[(3-hydroxyphenyl)carbamoyl]pyrrolidine-1-carboxylate?
benzyl 2-[(3-hydroxyphenyl)carbamoyl]pyrrolidine-1-carboxylate has a molecular weight of 340.38 g/mol, XLogP of 3.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[(3-hydroxyphenyl)carbamoyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 3243156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).