tert-butyl 2-(cyclopropylcarbamoyl)pyrrolidine-1-carboxylate;ethane;ethene;ethyl formate

C20H38N2O5 — CID 143731882

IUPACtert-butyl 2-(cyclopropylcarbamoyl)pyrrolidine-1-carboxylate;ethane;ethene;ethyl formate
SMILESC=C.CC.CC(C)(C)OC(=O)N1CCCC1C(=O)NC1CC1.CCOC=O
InChIInChI=1S/C13H22N2O3.C3H6O2.C2H6.C2H4/c1-13(2,3)18-12(17)15-8-4-5-10(15)11(16)14-9-6-7-9;1-2-5-3-4;2*1-2/h9-10H,4-8H2,1-3H3,(H,14,16);3H,2H2,1H3;1-2H3;1-2H2
InChIKeyAPQKFQBWGYVEDY-UHFFFAOYSA-N
MW386.53 g/mol
LogP3.67
Rot. Bonds4

About tert-butyl 2-(cyclopropylcarbamoyl)pyrrolidine-1-carboxylate;ethane;ethene;ethyl formate

tert-butyl 2-(cyclopropylcarbamoyl)pyrrolidine-1-carboxylate;ethane;ethene;ethyl formate (PubChem CID 143731882) has the molecular formula C20H38N2O5 and a molecular weight of 386.53 g/mol. Its IUPAC name is tert-butyl 2-(cyclopropylcarbamoyl)pyrrolidine-1-carboxylate;ethane;ethene;ethyl formate.

Molecular Properties

Compound Nametert-butyl 2-(cyclopropylcarbamoyl)pyrrolidine-1-carboxylate;ethane;ethene;ethyl formate
PubChem CID143731882
Molecular FormulaC20H38N2O5
Molecular Weight386.53 g/mol
Exact Mass386.28
IUPAC Nametert-butyl 2-(cyclopropylcarbamoyl)pyrrolidine-1-carboxylate;ethane;ethene;ethyl formate
SMILESC=C.CC.CC(C)(C)OC(=O)N1CCCC1C(=O)NC1CC1.CCOC=O
InChIInChI=1S/C13H22N2O3.C3H6O2.C2H6.C2H4/c1-13(2,3)18-12(17)15-8-4-5-10(15)11(16)14-9-6-7-9;1-2-5-3-4;2*1-2/h9-10H,4-8H2,1-3H3,(H,14,16);3H,2H2,1H3;1-2H3;1-2H2
InChIKeyAPQKFQBWGYVEDY-UHFFFAOYSA-N
XLogP3.67
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.53
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 2-(cyclopropylcarbamoyl)pyrrolidine-1-carboxylate;ethene;ethyl formate
CID 143405049
N-cyclopropyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phosphonamidous acid;ethene;ethyl formate
CID 143084876
acetylene;tert-butyl 4-[(2S)-2-(cyclopropylcarbamoyl)pyrrolidin-1-yl]-4-oxobutanoate;ethene;ethyl formate;hept-1-ene
CID 143610973
tert-butyl (2R)-2-[[(1S,2R)-2-methylcyclopropyl]carbamoyl]pyrrolidine-1-carboxylate
CID 124835778
tert-butyl (2S)-2-(hydroxycarbamoyl)pyrrolidine-1-carboxylate
CID 14471857
tert-butyl (2S)-2-[2-(methylamino)ethylcarbamoyl]pyrrolidine-1-carboxylate
CID 102225547
tert-butyl 2-(methanidylcarbamoyl)pyrrolidine-1-carboxylate;chromium
CID 173484458
tert-butyl 2-[[C,N-bis(ethenyl)carbonimidoyl]carbamoyl]pyrrolidine-1-carboxylate
CID 123959845
1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;propane
CID 144591642
tert-butyl (2S)-2-[2-(cyclopropylamino)acetyl]pyrrolidine-1-carboxylate
CID 18606692
2-methyl-2-[[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]amino]propanoic acid
CID 12990507
(2S)-N-cyclopropyl-1-non-8-enoylpyrrolidine-2-carboxamide;2,2-dimethylpropane;ethane;ethene
CID 143671394

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(cyclopropylcarbamoyl)pyrrolidine-1-carboxylate;ethane;ethene;ethyl formate?
The IUPAC name of tert-butyl 2-(cyclopropylcarbamoyl)pyrrolidine-1-carboxylate;ethane;ethene;ethyl formate (CID 143731882) is tert-butyl 2-(cyclopropylcarbamoyl)pyrrolidine-1-carboxylate;ethane;ethene;ethyl formate.
What is the SMILES notation for tert-butyl 2-(cyclopropylcarbamoyl)pyrrolidine-1-carboxylate;ethane;ethene;ethyl formate?
The canonical SMILES for tert-butyl 2-(cyclopropylcarbamoyl)pyrrolidine-1-carboxylate;ethane;ethene;ethyl formate is C=C.CC.CC(C)(C)OC(=O)N1CCCC1C(=O)NC1CC1.CCOC=O.
What is the InChIKey of tert-butyl 2-(cyclopropylcarbamoyl)pyrrolidine-1-carboxylate;ethane;ethene;ethyl formate?
The InChIKey is APQKFQBWGYVEDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3.C3H6O2.C2H6.C2H4/c1-13(2,3)18-12(17)15-8-4-5-10(15)11(16)14-9-6-7-9;1-2-5-3-4;2*1-2/h9-10H,4-8H2,1-3H3,(H,14,16);3H,2H2,1H3;1-2H3;1-2H2.
What are the key properties of tert-butyl 2-(cyclopropylcarbamoyl)pyrrolidine-1-carboxylate;ethane;ethene;ethyl formate?
tert-butyl 2-(cyclopropylcarbamoyl)pyrrolidine-1-carboxylate;ethane;ethene;ethyl formate has a molecular weight of 386.53 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(cyclopropylcarbamoyl)pyrrolidine-1-carboxylate;ethane;ethene;ethyl formate is sourced from PubChem (CID 143731882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).