tert-butyl (2R)-2-[[ethyl(phenylmethoxycarbonyl)amino]methyl]pyrrolidine-1-carboxylate

C20H30N2O4 — CID 131108775

IUPACtert-butyl (2R)-2-[[ethyl(phenylmethoxycarbonyl)amino]methyl]pyrrolidine-1-carboxylate
SMILESCCN(C[C@H]1CCCN1C(=O)OC(C)(C)C)C(=O)OCc1ccccc1
InChIInChI=1S/C20H30N2O4/c1-5-21(18(23)25-15-16-10-7-6-8-11-16)14-17-12-9-13-22(17)19(24)26-20(2,3)4/h6-8,10-11,17H,5,9,12-15H2,1-4H3/t17-/m1/s1
InChIKeyBRINHDUZJQRBPM-QGZVFWFLSA-N
MW362.47 g/mol
LogP4.04
Rot. Bonds5

About tert-butyl (2R)-2-[[ethyl(phenylmethoxycarbonyl)amino]methyl]pyrrolidine-1-carboxylate

tert-butyl (2R)-2-[[ethyl(phenylmethoxycarbonyl)amino]methyl]pyrrolidine-1-carboxylate (PubChem CID 131108775) has the molecular formula C20H30N2O4 and a molecular weight of 362.47 g/mol. Its IUPAC name is tert-butyl (2R)-2-[[ethyl(phenylmethoxycarbonyl)amino]methyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-2-[[ethyl(phenylmethoxycarbonyl)amino]methyl]pyrrolidine-1-carboxylate
PubChem CID131108775
Molecular FormulaC20H30N2O4
Molecular Weight362.47 g/mol
Exact Mass362.22
IUPAC Nametert-butyl (2R)-2-[[ethyl(phenylmethoxycarbonyl)amino]methyl]pyrrolidine-1-carboxylate
SMILESCCN(C[C@H]1CCCN1C(=O)OC(C)(C)C)C(=O)OCc1ccccc1
InChIInChI=1S/C20H30N2O4/c1-5-21(18(23)25-15-16-10-7-6-8-11-16)14-17-12-9-13-22(17)19(24)26-20(2,3)4/h6-8,10-11,17H,5,9,12-15H2,1-4H3/t17-/m1/s1
InChIKeyBRINHDUZJQRBPM-QGZVFWFLSA-N
XLogP4.04
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (2S)-2-[[methyl(phenylmethoxycarbonyl)amino]methyl]pyrrolidine-1-carboxylate
CID 168883355
benzyl N-[[1-[(2S)-2-aminopropanoyl]pyrrolidin-2-yl]methyl]-N-ethylcarbamate
CID 66566751
benzyl N-[[1-(2-aminopropanoyl)pyrrolidin-2-yl]methyl]-N-ethylcarbamate
CID 77144060
benzyl N-[[1-[(2S)-2-amino-3-methylbutanoyl]piperidin-2-yl]methyl]-N-ethylcarbamate
CID 66566828
benzyl N-ethyl-N-[[(2S)-1-(2-hydroxyethyl)pyrrolidin-2-yl]methyl]carbamate
CID 66566494
tert-butyl (2R)-2-benzylpiperidine-1-carboxylate
CID 67726841
tert-butyl (2S)-2-benzylpiperidine-1-carboxylate
CID 94006022
benzyl (2S)-2-[[2-aminoethyl(ethyl)amino]methyl]pyrrolidine-1-carboxylate
CID 66564345
2-[ethyl-[[(2S)-1-phenylmethoxycarbonylpiperidin-2-yl]methyl]amino]acetic acid
CID 96552254
tert-butyl (2S)-2-[(4-phenylmethoxyphenoxy)methyl]pyrrolidine-1-carboxylate
CID 68999596
4-[9H-fluoren-9-ylmethoxycarbonyl-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]methyl]amino]butanoic acid
CID 165494291
benzyl (2R)-2-[[ethyl(2-hydroxyethyl)amino]methyl]piperidine-1-carboxylate
CID 96552293

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-[[ethyl(phenylmethoxycarbonyl)amino]methyl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2R)-2-[[ethyl(phenylmethoxycarbonyl)amino]methyl]pyrrolidine-1-carboxylate (CID 131108775) is tert-butyl (2R)-2-[[ethyl(phenylmethoxycarbonyl)amino]methyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R)-2-[[ethyl(phenylmethoxycarbonyl)amino]methyl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R)-2-[[ethyl(phenylmethoxycarbonyl)amino]methyl]pyrrolidine-1-carboxylate is CCN(C[C@H]1CCCN1C(=O)OC(C)(C)C)C(=O)OCc1ccccc1.
What is the InChIKey of tert-butyl (2R)-2-[[ethyl(phenylmethoxycarbonyl)amino]methyl]pyrrolidine-1-carboxylate?
The InChIKey is BRINHDUZJQRBPM-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H30N2O4/c1-5-21(18(23)25-15-16-10-7-6-8-11-16)14-17-12-9-13-22(17)19(24)26-20(2,3)4/h6-8,10-11,17H,5,9,12-15H2,1-4H3/t17-/m1/s1.
What are the key properties of tert-butyl (2R)-2-[[ethyl(phenylmethoxycarbonyl)amino]methyl]pyrrolidine-1-carboxylate?
tert-butyl (2R)-2-[[ethyl(phenylmethoxycarbonyl)amino]methyl]pyrrolidine-1-carboxylate has a molecular weight of 362.47 g/mol, XLogP of 4.04, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-[[ethyl(phenylmethoxycarbonyl)amino]methyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 131108775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).