[(2R)-1-carbamoylpyrrolidin-2-yl]methyl 2,5-dimethyl-1-phenylpyrrole-3-carboxylate

C19H23N3O3 — CID 99812799

IUPAC[(2R)-1-carbamoylpyrrolidin-2-yl]methyl 2,5-dimethyl-1-phenylpyrrole-3-carboxylate
SMILESCc1cc(C(=O)OC[C@H]2CCCN2C(N)=O)c(C)n1-c1ccccc1
InChIInChI=1S/C19H23N3O3/c1-13-11-17(14(2)22(13)15-7-4-3-5-8-15)18(23)25-12-16-9-6-10-21(16)19(20)24/h3-5,7-8,11,16H,6,9-10,12H2,1-2H3,(H2,20,24)/t16-/m1/s1
InChIKeyPGGISUVOMLFXGG-MRXNPFEDSA-N
MW341.41 g/mol
LogP2.79
Rot. Bonds4

About [(2R)-1-carbamoylpyrrolidin-2-yl]methyl 2,5-dimethyl-1-phenylpyrrole-3-carboxylate

[(2R)-1-carbamoylpyrrolidin-2-yl]methyl 2,5-dimethyl-1-phenylpyrrole-3-carboxylate (PubChem CID 99812799) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is [(2R)-1-carbamoylpyrrolidin-2-yl]methyl 2,5-dimethyl-1-phenylpyrrole-3-carboxylate.

Molecular Properties

Compound Name[(2R)-1-carbamoylpyrrolidin-2-yl]methyl 2,5-dimethyl-1-phenylpyrrole-3-carboxylate
PubChem CID99812799
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name[(2R)-1-carbamoylpyrrolidin-2-yl]methyl 2,5-dimethyl-1-phenylpyrrole-3-carboxylate
SMILESCc1cc(C(=O)OC[C@H]2CCCN2C(N)=O)c(C)n1-c1ccccc1
InChIInChI=1S/C19H23N3O3/c1-13-11-17(14(2)22(13)15-7-4-3-5-8-15)18(23)25-12-16-9-6-10-21(16)19(20)24/h3-5,7-8,11,16H,6,9-10,12H2,1-2H3,(H2,20,24)/t16-/m1/s1
InChIKeyPGGISUVOMLFXGG-MRXNPFEDSA-N
XLogP2.79
TPSA77.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

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Related Compounds

(1-carbamoylpyrrolidin-2-yl)methyl 5-acetyl-2,6-dimethylpyridine-3-carboxylate
CID 86801458
(2R)-1-(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 119370736
(2-oxo-2-piperidin-1-ylethyl) 2,5-dimethyl-1-phenylpyrrole-3-carboxylate
CID 2385297
methyl 2,5-dimethyl-1-phenylpyrrole-3-carboxylate
CID 14611450
[2-(aminomethyl)pyrrolidin-1-yl]-[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]methanone
CID 119633449
(1-carbamoylpyrrolidin-2-yl)methyl 3-bromobenzoate
CID 71987943
[2-(aminomethyl)pyrrolidin-1-yl]-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methanone
CID 119633332
[2-(aminomethyl)pyrrolidin-1-yl]-[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]methanone;hydrochloride
CID 119633448
(4-aminopiperidin-1-yl)-(2,5-dimethyl-1-phenylpyrrol-3-yl)methanone
CID 119372805
(2,5-dimethyl-1-phenylpyrrol-3-yl)-(3-hydroxypiperidin-1-yl)methanone
CID 110883810
[(2S)-1-carbamoylpyrrolidin-2-yl]methyl 6,7,8,9-tetrahydro-5H-carbazole-1-carboxylate
CID 99564790
[(2R)-1-carbamoylpyrrolidin-2-yl]methyl 6,7,8,9-tetrahydro-5H-carbazole-1-carboxylate
CID 99564791

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-carbamoylpyrrolidin-2-yl]methyl 2,5-dimethyl-1-phenylpyrrole-3-carboxylate?
The IUPAC name of [(2R)-1-carbamoylpyrrolidin-2-yl]methyl 2,5-dimethyl-1-phenylpyrrole-3-carboxylate (CID 99812799) is [(2R)-1-carbamoylpyrrolidin-2-yl]methyl 2,5-dimethyl-1-phenylpyrrole-3-carboxylate.
What is the SMILES notation for [(2R)-1-carbamoylpyrrolidin-2-yl]methyl 2,5-dimethyl-1-phenylpyrrole-3-carboxylate?
The canonical SMILES for [(2R)-1-carbamoylpyrrolidin-2-yl]methyl 2,5-dimethyl-1-phenylpyrrole-3-carboxylate is Cc1cc(C(=O)OC[C@H]2CCCN2C(N)=O)c(C)n1-c1ccccc1.
What is the InChIKey of [(2R)-1-carbamoylpyrrolidin-2-yl]methyl 2,5-dimethyl-1-phenylpyrrole-3-carboxylate?
The InChIKey is PGGISUVOMLFXGG-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-13-11-17(14(2)22(13)15-7-4-3-5-8-15)18(23)25-12-16-9-6-10-21(16)19(20)24/h3-5,7-8,11,16H,6,9-10,12H2,1-2H3,(H2,20,24)/t16-/m1/s1.
What are the key properties of [(2R)-1-carbamoylpyrrolidin-2-yl]methyl 2,5-dimethyl-1-phenylpyrrole-3-carboxylate?
[(2R)-1-carbamoylpyrrolidin-2-yl]methyl 2,5-dimethyl-1-phenylpyrrole-3-carboxylate has a molecular weight of 341.41 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-carbamoylpyrrolidin-2-yl]methyl 2,5-dimethyl-1-phenylpyrrole-3-carboxylate is sourced from PubChem (CID 99812799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).