tert-butyl N-[[(2R)-1-(cyclopent-3-ene-1-carbonyl)pyrrolidin-2-yl]methyl]-N-methylcarbamate

C17H28N2O3 — CID 96517782

IUPACtert-butyl N-[[(2R)-1-(cyclopent-3-ene-1-carbonyl)pyrrolidin-2-yl]methyl]-N-methylcarbamate
SMILESCN(C[C@H]1CCCN1C(=O)C1CC=CC1)C(=O)OC(C)(C)C
InChIInChI=1S/C17H28N2O3/c1-17(2,3)22-16(21)18(4)12-14-10-7-11-19(14)15(20)13-8-5-6-9-13/h5-6,13-14H,7-12H2,1-4H3/t14-/m1/s1
InChIKeyGOGSNOMQWRHVGO-CQSZACIVSA-N
MW308.42 g/mol
LogP2.81
Rot. Bonds3

About tert-butyl N-[[(2R)-1-(cyclopent-3-ene-1-carbonyl)pyrrolidin-2-yl]methyl]-N-methylcarbamate

tert-butyl N-[[(2R)-1-(cyclopent-3-ene-1-carbonyl)pyrrolidin-2-yl]methyl]-N-methylcarbamate (PubChem CID 96517782) has the molecular formula C17H28N2O3 and a molecular weight of 308.42 g/mol. Its IUPAC name is tert-butyl N-[[(2R)-1-(cyclopent-3-ene-1-carbonyl)pyrrolidin-2-yl]methyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[[(2R)-1-(cyclopent-3-ene-1-carbonyl)pyrrolidin-2-yl]methyl]-N-methylcarbamate
PubChem CID96517782
Molecular FormulaC17H28N2O3
Molecular Weight308.42 g/mol
Exact Mass308.21
IUPAC Nametert-butyl N-[[(2R)-1-(cyclopent-3-ene-1-carbonyl)pyrrolidin-2-yl]methyl]-N-methylcarbamate
SMILESCN(C[C@H]1CCCN1C(=O)C1CC=CC1)C(=O)OC(C)(C)C
InChIInChI=1S/C17H28N2O3/c1-17(2,3)22-16(21)18(4)12-14-10-7-11-19(14)15(20)13-8-5-6-9-13/h5-6,13-14H,7-12H2,1-4H3/t14-/m1/s1
InChIKeyGOGSNOMQWRHVGO-CQSZACIVSA-N
XLogP2.81
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[[1-(2-amino-3-methylbutanoyl)pyrrolidin-2-yl]methyl]-N-methylcarbamate
CID 77144003
tert-butyl N-[[1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidin-2-yl]methyl]-N-methylcarbamate
CID 66566335
tert-butyl N-methyl-N-[[(2R)-1-(5-methylfuran-3-carbonyl)pyrrolidin-2-yl]methyl]carbamate
CID 99824146
2-[2-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyrrolidin-1-yl]acetic acid
CID 66566406
cyclopent-3-en-1-yl-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 115316381
tert-butyl (2S)-2-[[methyl(phenylmethoxycarbonyl)amino]methyl]pyrrolidine-1-carboxylate
CID 168883355
[2-(aminomethyl)piperidin-1-yl]-cyclopent-3-en-1-ylmethanone
CID 64767287
tert-butyl N-methyl-N-[[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]methyl]carbamate
CID 71988615
tert-butyl N-methyl-N-[[(2S)-1-[2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetyl]pyrrolidin-2-yl]methyl]carbamate
CID 96517795
tert-butyl (2S)-1-(cyclohex-3-ene-1-carbonyl)pyrrolidine-2-carboxylate
CID 81003380
tert-butyl N-[[1-(2-aminoacetyl)piperidin-2-yl]methyl]-N-propan-2-ylcarbamate
CID 66566227
tert-butyl 2-[[methyl-(2-thiophen-3-ylacetyl)amino]methyl]pyrrolidine-1-carboxylate
CID 71647669

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[(2R)-1-(cyclopent-3-ene-1-carbonyl)pyrrolidin-2-yl]methyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[[(2R)-1-(cyclopent-3-ene-1-carbonyl)pyrrolidin-2-yl]methyl]-N-methylcarbamate (CID 96517782) is tert-butyl N-[[(2R)-1-(cyclopent-3-ene-1-carbonyl)pyrrolidin-2-yl]methyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[[(2R)-1-(cyclopent-3-ene-1-carbonyl)pyrrolidin-2-yl]methyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[[(2R)-1-(cyclopent-3-ene-1-carbonyl)pyrrolidin-2-yl]methyl]-N-methylcarbamate is CN(C[C@H]1CCCN1C(=O)C1CC=CC1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[[(2R)-1-(cyclopent-3-ene-1-carbonyl)pyrrolidin-2-yl]methyl]-N-methylcarbamate?
The InChIKey is GOGSNOMQWRHVGO-CQSZACIVSA-N. The full InChI is InChI=1S/C17H28N2O3/c1-17(2,3)22-16(21)18(4)12-14-10-7-11-19(14)15(20)13-8-5-6-9-13/h5-6,13-14H,7-12H2,1-4H3/t14-/m1/s1.
What are the key properties of tert-butyl N-[[(2R)-1-(cyclopent-3-ene-1-carbonyl)pyrrolidin-2-yl]methyl]-N-methylcarbamate?
tert-butyl N-[[(2R)-1-(cyclopent-3-ene-1-carbonyl)pyrrolidin-2-yl]methyl]-N-methylcarbamate has a molecular weight of 308.42 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[(2R)-1-(cyclopent-3-ene-1-carbonyl)pyrrolidin-2-yl]methyl]-N-methylcarbamate is sourced from PubChem (CID 96517782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).