methyl N-[(1R)-2-[(2S)-2-(1H-imidazol-2-yl)pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate

C17H20N4O3 — CID 59347627

IUPACmethyl N-[(1R)-2-[(2S)-2-(1H-imidazol-2-yl)pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate
SMILESCOC(=O)N[C@@H](C(=O)N1CCC[C@H]1c1ncc[nH]1)c1ccccc1
InChIInChI=1S/C17H20N4O3/c1-24-17(23)20-14(12-6-3-2-4-7-12)16(22)21-11-5-8-13(21)15-18-9-10-19-15/h2-4,6-7,9-10,13-14H,5,8,11H2,1H3,(H,18,19)(H,20,23)/t13-,14+/m0/s1
InChIKeyDKFDECDMJFWAFT-UONOGXRCSA-N
MW328.37 g/mol
LogP2.17
Rot. Bonds4

About methyl N-[(1R)-2-[(2S)-2-(1H-imidazol-2-yl)pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate

methyl N-[(1R)-2-[(2S)-2-(1H-imidazol-2-yl)pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate (PubChem CID 59347627) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is methyl N-[(1R)-2-[(2S)-2-(1H-imidazol-2-yl)pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate.

Molecular Properties

Compound Namemethyl N-[(1R)-2-[(2S)-2-(1H-imidazol-2-yl)pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate
PubChem CID59347627
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Namemethyl N-[(1R)-2-[(2S)-2-(1H-imidazol-2-yl)pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate
SMILESCOC(=O)N[C@@H](C(=O)N1CCC[C@H]1c1ncc[nH]1)c1ccccc1
InChIInChI=1S/C17H20N4O3/c1-24-17(23)20-14(12-6-3-2-4-7-12)16(22)21-11-5-8-13(21)15-18-9-10-19-15/h2-4,6-7,9-10,13-14H,5,8,11H2,1H3,(H,18,19)(H,20,23)/t13-,14+/m0/s1
InChIKeyDKFDECDMJFWAFT-UONOGXRCSA-N
XLogP2.17
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl N-[(1R)-2-[(2S)-2-(1H-imidazol-2-yl)pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl N-[(1R)-2-[(2S)-2-(1H-imidazol-2-yl)pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate?
The IUPAC name of methyl N-[(1R)-2-[(2S)-2-(1H-imidazol-2-yl)pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate (CID 59347627) is methyl N-[(1R)-2-[(2S)-2-(1H-imidazol-2-yl)pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate.
What is the SMILES notation for methyl N-[(1R)-2-[(2S)-2-(1H-imidazol-2-yl)pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate?
The canonical SMILES for methyl N-[(1R)-2-[(2S)-2-(1H-imidazol-2-yl)pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate is COC(=O)N[C@@H](C(=O)N1CCC[C@H]1c1ncc[nH]1)c1ccccc1.
What is the InChIKey of methyl N-[(1R)-2-[(2S)-2-(1H-imidazol-2-yl)pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate?
The InChIKey is DKFDECDMJFWAFT-UONOGXRCSA-N. The full InChI is InChI=1S/C17H20N4O3/c1-24-17(23)20-14(12-6-3-2-4-7-12)16(22)21-11-5-8-13(21)15-18-9-10-19-15/h2-4,6-7,9-10,13-14H,5,8,11H2,1H3,(H,18,19)(H,20,23)/t13-,14+/m0/s1.
What are the key properties of methyl N-[(1R)-2-[(2S)-2-(1H-imidazol-2-yl)pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate?
methyl N-[(1R)-2-[(2S)-2-(1H-imidazol-2-yl)pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate has a molecular weight of 328.37 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(1R)-2-[(2S)-2-(1H-imidazol-2-yl)pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate is sourced from PubChem (CID 59347627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).