phenyl (2R)-2-[(2-methoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate

C19H20N2O4 — CID 800862

IUPACphenyl (2R)-2-[(2-methoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate
SMILESCOc1ccccc1NC(=O)[C@H]1CCCN1C(=O)Oc1ccccc1
InChIInChI=1S/C19H20N2O4/c1-24-17-12-6-5-10-15(17)20-18(22)16-11-7-13-21(16)19(23)25-14-8-3-2-4-9-14/h2-6,8-10,12,16H,7,11,13H2,1H3,(H,20,22)/t16-/m1/s1
InChIKeyWSHOGFQHFFZMFA-MRXNPFEDSA-N
MW340.38 g/mol
LogP3.30
Rot. Bonds4

About phenyl (2R)-2-[(2-methoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate

phenyl (2R)-2-[(2-methoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate (PubChem CID 800862) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is phenyl (2R)-2-[(2-methoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Namephenyl (2R)-2-[(2-methoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate
PubChem CID800862
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Namephenyl (2R)-2-[(2-methoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate
SMILESCOc1ccccc1NC(=O)[C@H]1CCCN1C(=O)Oc1ccccc1
InChIInChI=1S/C19H20N2O4/c1-24-17-12-6-5-10-15(17)20-18(22)16-11-7-13-21(16)19(23)25-14-8-3-2-4-9-14/h2-6,8-10,12,16H,7,11,13H2,1H3,(H,20,22)/t16-/m1/s1
InChIKeyWSHOGFQHFFZMFA-MRXNPFEDSA-N
XLogP3.30
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

phenyl (2S)-2-[(3-methoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 774408
phenyl 2-[(3-methoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 3127519
phenyl (2S)-2-[(2-bromo-4,5-dimethylphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 126003503
phenyl 4-hydroxy-2-[(2-methoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 559843
(2R)-2-N-(2,4-dimethoxyphenyl)-1-N-(2-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 1468706
phenyl 2-[(4-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 655757
(2S)-1-N-cyclohexyl-2-N-(2-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 1468739
1-N-(2-methoxyphenyl)-2-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 3219712
phenyl (2S)-2-[(3-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 6543354
phenyl (2S)-2-[(2-methyl-5-nitrophenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 1123838
methyl 2-[(2-bromophenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 110754602
2-N-(2,6-dimethylphenyl)-1-N-(2-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 3219774

Frequently Asked Questions

What is the IUPAC name of phenyl (2R)-2-[(2-methoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate?
The IUPAC name of phenyl (2R)-2-[(2-methoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate (CID 800862) is phenyl (2R)-2-[(2-methoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for phenyl (2R)-2-[(2-methoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate?
The canonical SMILES for phenyl (2R)-2-[(2-methoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate is COc1ccccc1NC(=O)[C@H]1CCCN1C(=O)Oc1ccccc1.
What is the InChIKey of phenyl (2R)-2-[(2-methoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate?
The InChIKey is WSHOGFQHFFZMFA-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-24-17-12-6-5-10-15(17)20-18(22)16-11-7-13-21(16)19(23)25-14-8-3-2-4-9-14/h2-6,8-10,12,16H,7,11,13H2,1H3,(H,20,22)/t16-/m1/s1.
What are the key properties of phenyl (2R)-2-[(2-methoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate?
phenyl (2R)-2-[(2-methoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate has a molecular weight of 340.38 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl (2R)-2-[(2-methoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 800862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).