methyl N-[(1S)-2-hydroxy-2-[(2S)-2-(methylcarbamoyl)pyrrolidin-1-yl]-1-phenylethyl]carbamate

C16H23N3O4 — CID 126658038

IUPACmethyl N-[(1S)-2-hydroxy-2-[(2S)-2-(methylcarbamoyl)pyrrolidin-1-yl]-1-phenylethyl]carbamate
SMILESCNC(=O)[C@@H]1CCCN1C(O)[C@@H](NC(=O)OC)c1ccccc1
InChIInChI=1S/C16H23N3O4/c1-17-14(20)12-9-6-10-19(12)15(21)13(18-16(22)23-2)11-7-4-3-5-8-11/h3-5,7-8,12-13,15,21H,6,9-10H2,1-2H3,(H,17,20)(H,18,22)/t12-,13-,15?/m0/s1
InChIKeyRUOKVGGILFWGNP-QNIGDANOSA-N
MW321.38 g/mol
LogP0.61
Rot. Bonds5

About methyl N-[(1S)-2-hydroxy-2-[(2S)-2-(methylcarbamoyl)pyrrolidin-1-yl]-1-phenylethyl]carbamate

methyl N-[(1S)-2-hydroxy-2-[(2S)-2-(methylcarbamoyl)pyrrolidin-1-yl]-1-phenylethyl]carbamate (PubChem CID 126658038) has the molecular formula C16H23N3O4 and a molecular weight of 321.38 g/mol. Its IUPAC name is methyl N-[(1S)-2-hydroxy-2-[(2S)-2-(methylcarbamoyl)pyrrolidin-1-yl]-1-phenylethyl]carbamate.

Molecular Properties

Compound Namemethyl N-[(1S)-2-hydroxy-2-[(2S)-2-(methylcarbamoyl)pyrrolidin-1-yl]-1-phenylethyl]carbamate
PubChem CID126658038
Molecular FormulaC16H23N3O4
Molecular Weight321.38 g/mol
Exact Mass321.17
IUPAC Namemethyl N-[(1S)-2-hydroxy-2-[(2S)-2-(methylcarbamoyl)pyrrolidin-1-yl]-1-phenylethyl]carbamate
SMILESCNC(=O)[C@@H]1CCCN1C(O)[C@@H](NC(=O)OC)c1ccccc1
InChIInChI=1S/C16H23N3O4/c1-17-14(20)12-9-6-10-19(12)15(21)13(18-16(22)23-2)11-7-4-3-5-8-11/h3-5,7-8,12-13,15,21H,6,9-10H2,1-2H3,(H,17,20)(H,18,22)/t12-,13-,15?/m0/s1
InChIKeyRUOKVGGILFWGNP-QNIGDANOSA-N
XLogP0.61
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze methyl N-[(1S)-2-hydroxy-2-[(2S)-2-(methylcarbamoyl)pyrrolidin-1-yl]-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

Related Compounds

methyl N-[(1S)-2-oxo-1-phenyl-2-[(2S)-2-(propan-2-ylcarbamoyl)pyrrolidin-1-yl]ethyl]carbamate
CID 59616659
methyl N-[(1R)-2-[(2S)-2-carbamoylpyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate
CID 71164933
methyl (2S)-1-benzhydrylpyrrolidine-2-carboxylate
CID 163261886
methyl (2S)-1-[(1S)-1-phenylethyl]pyrrolidine-2-carboxylate
CID 11234448
1-(2-amino-2-phenylacetyl)-N-methylpyrrolidine-2-carboxamide
CID 60953274
N-methyl-1-propan-2-ylpyrrolidine-2-carboxamide
CID 21355300
tert-butyl N-[2-hydroxy-2-[2-[1-[4-[4-[2-[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]ethylcarbamoyl]pyrrolidin-1-yl]-1-phenylethyl]carbamate
CID 91478766
1-[1-(4-aminophenyl)ethyl]-N-methylpyrrolidine-2-carboxamide
CID 54986110
(2R)-1-N-(2,2-diphenylethyl)-2-N-methylpiperidine-1,2-dicarboxamide
CID 126433792
1-(3-amino-3-phenylpropanoyl)-N-methylpyrrolidine-2-carboxamide
CID 60953494
1-[2-(1,2-diphenylethylamino)-2-oxoethyl]-N-methylpyrrolidine-2-carboxamide
CID 60570248
N-benzyl-1-[1-cyclopropyl-2-(methylamino)-2-oxoethyl]pyrrolidine-2-carboxamide
CID 163049279

Frequently Asked Questions

What is the IUPAC name of methyl N-[(1S)-2-hydroxy-2-[(2S)-2-(methylcarbamoyl)pyrrolidin-1-yl]-1-phenylethyl]carbamate?
The IUPAC name of methyl N-[(1S)-2-hydroxy-2-[(2S)-2-(methylcarbamoyl)pyrrolidin-1-yl]-1-phenylethyl]carbamate (CID 126658038) is methyl N-[(1S)-2-hydroxy-2-[(2S)-2-(methylcarbamoyl)pyrrolidin-1-yl]-1-phenylethyl]carbamate.
What is the SMILES notation for methyl N-[(1S)-2-hydroxy-2-[(2S)-2-(methylcarbamoyl)pyrrolidin-1-yl]-1-phenylethyl]carbamate?
The canonical SMILES for methyl N-[(1S)-2-hydroxy-2-[(2S)-2-(methylcarbamoyl)pyrrolidin-1-yl]-1-phenylethyl]carbamate is CNC(=O)[C@@H]1CCCN1C(O)[C@@H](NC(=O)OC)c1ccccc1.
What is the InChIKey of methyl N-[(1S)-2-hydroxy-2-[(2S)-2-(methylcarbamoyl)pyrrolidin-1-yl]-1-phenylethyl]carbamate?
The InChIKey is RUOKVGGILFWGNP-QNIGDANOSA-N. The full InChI is InChI=1S/C16H23N3O4/c1-17-14(20)12-9-6-10-19(12)15(21)13(18-16(22)23-2)11-7-4-3-5-8-11/h3-5,7-8,12-13,15,21H,6,9-10H2,1-2H3,(H,17,20)(H,18,22)/t12-,13-,15?/m0/s1.
What are the key properties of methyl N-[(1S)-2-hydroxy-2-[(2S)-2-(methylcarbamoyl)pyrrolidin-1-yl]-1-phenylethyl]carbamate?
methyl N-[(1S)-2-hydroxy-2-[(2S)-2-(methylcarbamoyl)pyrrolidin-1-yl]-1-phenylethyl]carbamate has a molecular weight of 321.38 g/mol, XLogP of 0.61, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(1S)-2-hydroxy-2-[(2S)-2-(methylcarbamoyl)pyrrolidin-1-yl]-1-phenylethyl]carbamate is sourced from PubChem (CID 126658038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).