N-cyclopropyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phosphonamidous acid;ethene;ethyl formate

C17H33N2O5P — CID 143084876

IUPACN-cyclopropyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phosphonamidous acid;ethene;ethyl formate
SMILESC=C.CC(C)(C)OC(=O)N1CCCC1P(O)NC1CC1.CCOC=O
InChIInChI=1S/C12H23N2O3P.C3H6O2.C2H4/c1-12(2,3)17-11(15)14-8-4-5-10(14)18(16)13-9-6-7-9;1-2-5-3-4;1-2/h9-10,13,16H,4-8H2,1-3H3;3H,2H2,1H3;1-2H2
InChIKeyUSSNBDNKWIMVPJ-UHFFFAOYSA-N
MW376.43 g/mol
LogP3.38
Rot. Bonds5

About N-cyclopropyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phosphonamidous acid;ethene;ethyl formate

N-cyclopropyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phosphonamidous acid;ethene;ethyl formate (PubChem CID 143084876) has the molecular formula C17H33N2O5P and a molecular weight of 376.43 g/mol. Its IUPAC name is N-cyclopropyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phosphonamidous acid;ethene;ethyl formate.

Molecular Properties

Compound NameN-cyclopropyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phosphonamidous acid;ethene;ethyl formate
PubChem CID143084876
Molecular FormulaC17H33N2O5P
Molecular Weight376.43 g/mol
Exact Mass376.21
IUPAC NameN-cyclopropyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phosphonamidous acid;ethene;ethyl formate
SMILESC=C.CC(C)(C)OC(=O)N1CCCC1P(O)NC1CC1.CCOC=O
InChIInChI=1S/C12H23N2O3P.C3H6O2.C2H4/c1-12(2,3)17-11(15)14-8-4-5-10(14)18(16)13-9-6-7-9;1-2-5-3-4;1-2/h9-10,13,16H,4-8H2,1-3H3;3H,2H2,1H3;1-2H2
InChIKeyUSSNBDNKWIMVPJ-UHFFFAOYSA-N
XLogP3.38
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 2-(cyclopropylcarbamoyl)pyrrolidine-1-carboxylate;ethene;ethyl formate
CID 143405049
tert-butyl 2-(cyclopropylcarbamoyl)pyrrolidine-1-carboxylate;ethane;ethene;ethyl formate
CID 143731882
tert-butyl N-cyclopropylcarbamate;ethene;ethyl formate
CID 143611566
tert-butyl 3-methylpyrrolidine-1-carboxylate;ethane;ethyl formate
CID 145438130
tert-butyl 2-ethoxypyrrolidine-1-carboxylate
CID 11171930
tert-butyl 2-(methylaminomethyl)pyrrolidine-1-carboxylate;ethane
CID 166086054
tert-butyl 2-[(prop-2-enylamino)methyl]pyrrolidine-1-carboxylate
CID 106636188
acetylene;tert-butyl 4-[(2S)-2-(cyclopropylcarbamoyl)pyrrolidin-1-yl]-4-oxobutanoate;ethene;ethyl formate;hept-1-ene
CID 143610973
tert-butyl (2R)-2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]pyrrolidine-1-carboxylate
CID 101323143
tert-butyl 2-formylpiperidine-1-carboxylate;ethane
CID 145071320
tert-butyl (2R)-2-prop-2-enoxypyrrolidine-1-carboxylate
CID 59825158
tert-butyl 2-prop-2-enylpyrrolidine-1-carboxylate
CID 3755290

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phosphonamidous acid;ethene;ethyl formate?
The IUPAC name of N-cyclopropyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phosphonamidous acid;ethene;ethyl formate (CID 143084876) is N-cyclopropyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phosphonamidous acid;ethene;ethyl formate.
What is the SMILES notation for N-cyclopropyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phosphonamidous acid;ethene;ethyl formate?
The canonical SMILES for N-cyclopropyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phosphonamidous acid;ethene;ethyl formate is C=C.CC(C)(C)OC(=O)N1CCCC1P(O)NC1CC1.CCOC=O.
What is the InChIKey of N-cyclopropyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phosphonamidous acid;ethene;ethyl formate?
The InChIKey is USSNBDNKWIMVPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N2O3P.C3H6O2.C2H4/c1-12(2,3)17-11(15)14-8-4-5-10(14)18(16)13-9-6-7-9;1-2-5-3-4;1-2/h9-10,13,16H,4-8H2,1-3H3;3H,2H2,1H3;1-2H2.
What are the key properties of N-cyclopropyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phosphonamidous acid;ethene;ethyl formate?
N-cyclopropyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phosphonamidous acid;ethene;ethyl formate has a molecular weight of 376.43 g/mol, XLogP of 3.38, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phosphonamidous acid;ethene;ethyl formate is sourced from PubChem (CID 143084876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).