tert-butyl (3S)-3-[3-(3-methoxyphenyl)propanoylamino]pyrrolidine-1-carboxylate

C19H28N2O4 — CID 96515811

IUPACtert-butyl (3S)-3-[3-(3-methoxyphenyl)propanoylamino]pyrrolidine-1-carboxylate
SMILESCOc1cccc(CCC(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C2)c1
InChIInChI=1S/C19H28N2O4/c1-19(2,3)25-18(23)21-11-10-15(13-21)20-17(22)9-8-14-6-5-7-16(12-14)24-4/h5-7,12,15H,8-11,13H2,1-4H3,(H,20,22)/t15-/m0/s1
InChIKeyYAJLTSMOGMUVET-HNNXBMFYSA-N
MW348.44 g/mol
LogP2.75
Rot. Bonds5

About tert-butyl (3S)-3-[3-(3-methoxyphenyl)propanoylamino]pyrrolidine-1-carboxylate

tert-butyl (3S)-3-[3-(3-methoxyphenyl)propanoylamino]pyrrolidine-1-carboxylate (PubChem CID 96515811) has the molecular formula C19H28N2O4 and a molecular weight of 348.44 g/mol. Its IUPAC name is tert-butyl (3S)-3-[3-(3-methoxyphenyl)propanoylamino]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3S)-3-[3-(3-methoxyphenyl)propanoylamino]pyrrolidine-1-carboxylate
PubChem CID96515811
Molecular FormulaC19H28N2O4
Molecular Weight348.44 g/mol
Exact Mass348.20
IUPAC Nametert-butyl (3S)-3-[3-(3-methoxyphenyl)propanoylamino]pyrrolidine-1-carboxylate
SMILESCOc1cccc(CCC(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C2)c1
InChIInChI=1S/C19H28N2O4/c1-19(2,3)25-18(23)21-11-10-15(13-21)20-17(22)9-8-14-6-5-7-16(12-14)24-4/h5-7,12,15H,8-11,13H2,1-4H3,(H,20,22)/t15-/m0/s1
InChIKeyYAJLTSMOGMUVET-HNNXBMFYSA-N
XLogP2.75
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl (3S)-3-[3-(3-methoxyphenyl)propanoylamino]pyrrolidine-1-carboxylate 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

N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3-(3-methoxyphenyl)propanamide
CID 110819891
methyl 4-[3-(3-methoxyphenyl)propanoylamino]piperidine-1-carboxylate
CID 110821761
N-(1-acetylpiperidin-4-yl)-3-(3-methoxyphenyl)propanamide
CID 46662162
tert-butyl 4-[3-(4-methoxyphenyl)propanoylamino]piperidine-1-carboxylate
CID 51124373
tert-butyl 4-[(3-methoxyphenyl)methylcarbamoylamino]piperidine-1-carboxylate
CID 108898443
tert-butyl 3-[(3-methoxyphenyl)methylamino]azetidine-1-carboxylate
CID 63303226
N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-3-(3-methoxyphenyl)propanamide
CID 110719748
4-[3-(3-methoxyphenyl)propanoylamino]cyclohexane-1-carboxylic acid
CID 119229032
tert-butyl (3R)-3-[(2-phenoxyacetyl)amino]pyrrolidine-1-carboxylate
CID 96510561
3-(3-methoxyphenyl)-N-piperidin-4-ylpropanamide
CID 119389634
tert-butyl N-[3-[[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]amino]-3-oxopropyl]carbamate
CID 55945960
tert-butyl 3-[[2-[2-(3-methoxyphenyl)ethyl]phenoxy]methyl]pyrrolidine-1-carboxylate
CID 19423970

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3S)-3-[3-(3-methoxyphenyl)propanoylamino]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (3S)-3-[3-(3-methoxyphenyl)propanoylamino]pyrrolidine-1-carboxylate (CID 96515811) is tert-butyl (3S)-3-[3-(3-methoxyphenyl)propanoylamino]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3S)-3-[3-(3-methoxyphenyl)propanoylamino]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (3S)-3-[3-(3-methoxyphenyl)propanoylamino]pyrrolidine-1-carboxylate is COc1cccc(CCC(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C2)c1.
What is the InChIKey of tert-butyl (3S)-3-[3-(3-methoxyphenyl)propanoylamino]pyrrolidine-1-carboxylate?
The InChIKey is YAJLTSMOGMUVET-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H28N2O4/c1-19(2,3)25-18(23)21-11-10-15(13-21)20-17(22)9-8-14-6-5-7-16(12-14)24-4/h5-7,12,15H,8-11,13H2,1-4H3,(H,20,22)/t15-/m0/s1.
What are the key properties of tert-butyl (3S)-3-[3-(3-methoxyphenyl)propanoylamino]pyrrolidine-1-carboxylate?
tert-butyl (3S)-3-[3-(3-methoxyphenyl)propanoylamino]pyrrolidine-1-carboxylate has a molecular weight of 348.44 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3S)-3-[3-(3-methoxyphenyl)propanoylamino]pyrrolidine-1-carboxylate is sourced from PubChem (CID 96515811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).