benzyl N-[2-[3-(2,5-dioxoimidazolidin-1-yl)pyrrolidin-1-yl]-2-oxoethyl]carbamate

C17H20N4O5 — CID 121159977

IUPACbenzyl N-[2-[3-(2,5-dioxoimidazolidin-1-yl)pyrrolidin-1-yl]-2-oxoethyl]carbamate
SMILESO=C(NCC(=O)N1CCC(N2C(=O)CNC2=O)C1)OCc1ccccc1
InChIInChI=1S/C17H20N4O5/c22-14(8-19-17(25)26-11-12-4-2-1-3-5-12)20-7-6-13(10-20)21-15(23)9-18-16(21)24/h1-5,13H,6-11H2,(H,18,24)(H,19,25)
InChIKeyHCXPNQRSGHGLRN-UHFFFAOYSA-N
MW360.37 g/mol
LogP0.07
Rot. Bonds5

About benzyl N-[2-[3-(2,5-dioxoimidazolidin-1-yl)pyrrolidin-1-yl]-2-oxoethyl]carbamate

benzyl N-[2-[3-(2,5-dioxoimidazolidin-1-yl)pyrrolidin-1-yl]-2-oxoethyl]carbamate (PubChem CID 121159977) has the molecular formula C17H20N4O5 and a molecular weight of 360.37 g/mol. Its IUPAC name is benzyl N-[2-[3-(2,5-dioxoimidazolidin-1-yl)pyrrolidin-1-yl]-2-oxoethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[2-[3-(2,5-dioxoimidazolidin-1-yl)pyrrolidin-1-yl]-2-oxoethyl]carbamate
PubChem CID121159977
Molecular FormulaC17H20N4O5
Molecular Weight360.37 g/mol
Exact Mass360.14
IUPAC Namebenzyl N-[2-[3-(2,5-dioxoimidazolidin-1-yl)pyrrolidin-1-yl]-2-oxoethyl]carbamate
SMILESO=C(NCC(=O)N1CCC(N2C(=O)CNC2=O)C1)OCc1ccccc1
InChIInChI=1S/C17H20N4O5/c22-14(8-19-17(25)26-11-12-4-2-1-3-5-12)20-7-6-13(10-20)21-15(23)9-18-16(21)24/h1-5,13H,6-11H2,(H,18,24)(H,19,25)
InChIKeyHCXPNQRSGHGLRN-UHFFFAOYSA-N
XLogP0.07
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

benzyl N-[2-(3-aminopyrrolidin-1-yl)-2-oxoethyl]carbamate;hydrochloride
CID 126843068
3-(2,5-dioxoimidazolidin-1-yl)-N-(3-phenylpropyl)pyrrolidine-1-carboxamide
CID 121160042
3-[1-[3-(3-chlorophenyl)propanoyl]pyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121159824
benzyl N-[2-oxo-2-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]ethyl]carbamate
CID 95338572
3-[1-(2-pyrrol-1-ylacetyl)pyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121159893
benzyl N-[2-[3-(3,4-dihydro-1H-isoquinolin-2-yl)azetidin-1-yl]-2-oxoethyl]carbamate
CID 121153569
3-[1-(3-phenylprop-2-enoyl)pyrrolidin-3-yl]imidazolidine-2,4-dione
CID 171139182
benzyl N-[2-(3-ethyl-4-hydroxypyrrolidin-1-yl)-2-oxoethyl]carbamate
CID 59347253
benzyl N-[2-(3-cyclohexylsulfonylazetidin-1-yl)-2-oxoethyl]carbamate
CID 90593963
3-[1-[2-(4-propan-2-ylphenoxy)acetyl]pyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121159768
benzyl N-[2-(2,2-dioxo-2λ6-thia-5-azabicyclo[2.2.1]heptan-5-yl)-2-oxoethyl]carbamate
CID 122273339
methyl 2-[4-[1-[2-(phenylmethoxycarbonylamino)acetyl]piperidin-4-yl]phenyl]acetate
CID 71266022

Frequently Asked Questions

What is the IUPAC name of benzyl N-[2-[3-(2,5-dioxoimidazolidin-1-yl)pyrrolidin-1-yl]-2-oxoethyl]carbamate?
The IUPAC name of benzyl N-[2-[3-(2,5-dioxoimidazolidin-1-yl)pyrrolidin-1-yl]-2-oxoethyl]carbamate (CID 121159977) is benzyl N-[2-[3-(2,5-dioxoimidazolidin-1-yl)pyrrolidin-1-yl]-2-oxoethyl]carbamate.
What is the SMILES notation for benzyl N-[2-[3-(2,5-dioxoimidazolidin-1-yl)pyrrolidin-1-yl]-2-oxoethyl]carbamate?
The canonical SMILES for benzyl N-[2-[3-(2,5-dioxoimidazolidin-1-yl)pyrrolidin-1-yl]-2-oxoethyl]carbamate is O=C(NCC(=O)N1CCC(N2C(=O)CNC2=O)C1)OCc1ccccc1.
What is the InChIKey of benzyl N-[2-[3-(2,5-dioxoimidazolidin-1-yl)pyrrolidin-1-yl]-2-oxoethyl]carbamate?
The InChIKey is HCXPNQRSGHGLRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O5/c22-14(8-19-17(25)26-11-12-4-2-1-3-5-12)20-7-6-13(10-20)21-15(23)9-18-16(21)24/h1-5,13H,6-11H2,(H,18,24)(H,19,25).
What are the key properties of benzyl N-[2-[3-(2,5-dioxoimidazolidin-1-yl)pyrrolidin-1-yl]-2-oxoethyl]carbamate?
benzyl N-[2-[3-(2,5-dioxoimidazolidin-1-yl)pyrrolidin-1-yl]-2-oxoethyl]carbamate has a molecular weight of 360.37 g/mol, XLogP of 0.07, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[2-[3-(2,5-dioxoimidazolidin-1-yl)pyrrolidin-1-yl]-2-oxoethyl]carbamate is sourced from PubChem (CID 121159977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).