(2S)-N-benzyl-1-[3-(methylcarbamoyl)oxetan-3-yl]pyrrolidine-2-carboxamide

C17H23N3O3 — CID 75529701

IUPAC(2S)-N-benzyl-1-[3-(methylcarbamoyl)oxetan-3-yl]pyrrolidine-2-carboxamide
SMILESCNC(=O)C1(N2CCC[C@H]2C(=O)NCc2ccccc2)COC1
InChIInChI=1S/C17H23N3O3/c1-18-16(22)17(11-23-12-17)20-9-5-8-14(20)15(21)19-10-13-6-3-2-4-7-13/h2-4,6-7,14H,5,8-12H2,1H3,(H,18,22)(H,19,21)/t14-/m0/s1
InChIKeyFIOSBJFWKHPYBA-AWEZNQCLSA-N
MW317.39 g/mol
LogP0.28
Rot. Bonds5

About (2S)-N-benzyl-1-[3-(methylcarbamoyl)oxetan-3-yl]pyrrolidine-2-carboxamide

(2S)-N-benzyl-1-[3-(methylcarbamoyl)oxetan-3-yl]pyrrolidine-2-carboxamide (PubChem CID 75529701) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is (2S)-N-benzyl-1-[3-(methylcarbamoyl)oxetan-3-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-benzyl-1-[3-(methylcarbamoyl)oxetan-3-yl]pyrrolidine-2-carboxamide
PubChem CID75529701
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name(2S)-N-benzyl-1-[3-(methylcarbamoyl)oxetan-3-yl]pyrrolidine-2-carboxamide
SMILESCNC(=O)C1(N2CCC[C@H]2C(=O)NCc2ccccc2)COC1
InChIInChI=1S/C17H23N3O3/c1-18-16(22)17(11-23-12-17)20-9-5-8-14(20)15(21)19-10-13-6-3-2-4-7-13/h2-4,6-7,14H,5,8-12H2,1H3,(H,18,22)(H,19,21)/t14-/m0/s1
InChIKeyFIOSBJFWKHPYBA-AWEZNQCLSA-N
XLogP0.28
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-N-benzyl-1-[3-(methylcarbamoyl)oxetan-3-yl]pyrrolidine-2-carboxamide 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

(2S)-N-ethyl-1-[4-(methylcarbamoyl)oxan-4-yl]pyrrolidine-2-carboxamide
CID 75411524
N-benzyl-1-[1-cyclopropyl-2-(methylamino)-2-oxoethyl]pyrrolidine-2-carboxamide
CID 163049279
(2S)-N-benzyl-1-[(1R)-1-cyclopropyl-2-(methylamino)-2-oxoethyl]pyrrolidine-2-carboxamide
CID 75529687
1-N-benzyl-2-N-methylpyrrolidine-1,2-dicarboxamide
CID 47085421
(2S)-1-N-benzyl-2-N-[(4-methylphenyl)methyl]pyrrolidine-1,2-dicarboxamide
CID 1468781
N-benzyl-1-(2-cyclopropylpropanoyl)pyrrolidine-2-carboxamide
CID 110625860
(2S)-N-benzyl-1-(morpholine-4-carbonyl)pyrrolidine-2-carboxamide
CID 110286160
1-formyl-N-[(4-phenylphenyl)methyl]pyrrolidine-2-carboxamide
CID 146357979
4-[[[(2R)-1-benzylpyrrolidine-2-carbonyl]amino]methyl]benzoic acid
CID 124703936
ethyl (2S)-2-(benzylcarbamoyl)pyrrolidine-1-carboxylate
CID 110286155
N-benzyl-1-(3-methylbutanoyl)pyrrolidine-2-carboxamide
CID 170418185
(2S)-1-N-benzyl-2-N-[(4-fluorophenyl)methyl]pyrrolidine-1,2-dicarboxamide
CID 1468512

Frequently Asked Questions

What is the IUPAC name of (2S)-N-benzyl-1-[3-(methylcarbamoyl)oxetan-3-yl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-benzyl-1-[3-(methylcarbamoyl)oxetan-3-yl]pyrrolidine-2-carboxamide (CID 75529701) is (2S)-N-benzyl-1-[3-(methylcarbamoyl)oxetan-3-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-benzyl-1-[3-(methylcarbamoyl)oxetan-3-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-benzyl-1-[3-(methylcarbamoyl)oxetan-3-yl]pyrrolidine-2-carboxamide is CNC(=O)C1(N2CCC[C@H]2C(=O)NCc2ccccc2)COC1.
What is the InChIKey of (2S)-N-benzyl-1-[3-(methylcarbamoyl)oxetan-3-yl]pyrrolidine-2-carboxamide?
The InChIKey is FIOSBJFWKHPYBA-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-18-16(22)17(11-23-12-17)20-9-5-8-14(20)15(21)19-10-13-6-3-2-4-7-13/h2-4,6-7,14H,5,8-12H2,1H3,(H,18,22)(H,19,21)/t14-/m0/s1.
What are the key properties of (2S)-N-benzyl-1-[3-(methylcarbamoyl)oxetan-3-yl]pyrrolidine-2-carboxamide?
(2S)-N-benzyl-1-[3-(methylcarbamoyl)oxetan-3-yl]pyrrolidine-2-carboxamide has a molecular weight of 317.39 g/mol, XLogP of 0.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-benzyl-1-[3-(methylcarbamoyl)oxetan-3-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 75529701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).