(2S,4R)-1-benzyl-N-methyl-4-(propan-2-ylamino)pyrrolidine-2-carboxamide

C16H25N3O — CID 45245451

IUPAC(2S,4R)-1-benzyl-N-methyl-4-(propan-2-ylamino)pyrrolidine-2-carboxamide
SMILESCNC(=O)[C@@H]1C[C@@H](NC(C)C)CN1Cc1ccccc1
InChIInChI=1S/C16H25N3O/c1-12(2)18-14-9-15(16(20)17-3)19(11-14)10-13-7-5-4-6-8-13/h4-8,12,14-15,18H,9-11H2,1-3H3,(H,17,20)/t14-,15+/m1/s1
InChIKeyGPFPTWGCEIAZQC-CABCVRRESA-N
MW275.40 g/mol
LogP1.37
Rot. Bonds5

About (2S,4R)-1-benzyl-N-methyl-4-(propan-2-ylamino)pyrrolidine-2-carboxamide

(2S,4R)-1-benzyl-N-methyl-4-(propan-2-ylamino)pyrrolidine-2-carboxamide (PubChem CID 45245451) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is (2S,4R)-1-benzyl-N-methyl-4-(propan-2-ylamino)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-1-benzyl-N-methyl-4-(propan-2-ylamino)pyrrolidine-2-carboxamide
PubChem CID45245451
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name(2S,4R)-1-benzyl-N-methyl-4-(propan-2-ylamino)pyrrolidine-2-carboxamide
SMILESCNC(=O)[C@@H]1C[C@@H](NC(C)C)CN1Cc1ccccc1
InChIInChI=1S/C16H25N3O/c1-12(2)18-14-9-15(16(20)17-3)19(11-14)10-13-7-5-4-6-8-13/h4-8,12,14-15,18H,9-11H2,1-3H3,(H,17,20)/t14-,15+/m1/s1
InChIKeyGPFPTWGCEIAZQC-CABCVRRESA-N
XLogP1.37
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S,4R)-1-benzyl-N-methyl-4-(propan-2-ylamino)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,4S)-1-benzyl-4-[(2,4-difluorophenyl)methylamino]-N-methylpyrrolidine-2-carboxamide
CID 45179273
(2S,4S)-1-benzyl-N-methyl-4-[[3-(trifluoromethyl)phenyl]methylamino]pyrrolidine-2-carboxamide
CID 45223733
(2S)-1-benzyl-N-methyl-4-propan-2-ylpiperazine-2-carboxamide
CID 95827904
(2S,4R)-1-benzyl-4-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methylamino]-N-methylpyrrolidine-2-carboxamide
CID 126463912
(2S,4S)-1-benzyl-4-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methylamino]-N-methylpyrrolidine-2-carboxamide
CID 126465437
(2S,4R)-1-benzyl-4-[(3-methoxyphenyl)methylamino]-N-propan-2-ylpyrrolidine-2-carboxamide
CID 126465083
(2S,4S)-1-[(3-chlorophenyl)methyl]-N-methyl-4-[(3-phenylmethoxyphenyl)methylamino]pyrrolidine-2-carboxamide
CID 45245718
(2S,4R)-4-(cyclohexylmethylamino)-1-(2,2-diphenylethyl)-N-methylpyrrolidine-2-carboxamide
CID 118755086
(2S,4R)-N-methyl-1-(pyridin-4-ylmethyl)-4-[[2-(trifluoromethyl)phenyl]methylamino]pyrrolidine-2-carboxamide
CID 45249945
1-benzyl-N-(1,1-dimethoxypropan-2-yl)aziridine-2-carboxamide
CID 74229542
(2S,4R)-1-(2,2-diphenylethyl)-4-[(3-methoxyphenyl)methylamino]-N-methylpyrrolidine-2-carboxamide
CID 45252587
(2S,4R)-1-[(3-chlorophenyl)methyl]-4-[(2,5-dimethylphenyl)methylamino]-N-methylpyrrolidine-2-carboxamide
CID 45235483

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-1-benzyl-N-methyl-4-(propan-2-ylamino)pyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-1-benzyl-N-methyl-4-(propan-2-ylamino)pyrrolidine-2-carboxamide (CID 45245451) is (2S,4R)-1-benzyl-N-methyl-4-(propan-2-ylamino)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-1-benzyl-N-methyl-4-(propan-2-ylamino)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-1-benzyl-N-methyl-4-(propan-2-ylamino)pyrrolidine-2-carboxamide is CNC(=O)[C@@H]1C[C@@H](NC(C)C)CN1Cc1ccccc1.
What is the InChIKey of (2S,4R)-1-benzyl-N-methyl-4-(propan-2-ylamino)pyrrolidine-2-carboxamide?
The InChIKey is GPFPTWGCEIAZQC-CABCVRRESA-N. The full InChI is InChI=1S/C16H25N3O/c1-12(2)18-14-9-15(16(20)17-3)19(11-14)10-13-7-5-4-6-8-13/h4-8,12,14-15,18H,9-11H2,1-3H3,(H,17,20)/t14-,15+/m1/s1.
What are the key properties of (2S,4R)-1-benzyl-N-methyl-4-(propan-2-ylamino)pyrrolidine-2-carboxamide?
(2S,4R)-1-benzyl-N-methyl-4-(propan-2-ylamino)pyrrolidine-2-carboxamide has a molecular weight of 275.40 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-1-benzyl-N-methyl-4-(propan-2-ylamino)pyrrolidine-2-carboxamide is sourced from PubChem (CID 45245451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).