ethyl N-amino-N-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]carbamate

C8H14N4O4 — CID 19708140

IUPACethyl N-amino-N-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]carbamate
SMILESCCOC(=O)N(N)CCC1NC(=O)NC1=O
InChIInChI=1S/C8H14N4O4/c1-2-16-8(15)12(9)4-3-5-6(13)11-7(14)10-5/h5H,2-4,9H2,1H3,(H2,10,11,13,14)
InChIKeyHAQZTYIYTWDGLF-UHFFFAOYSA-N
MW230.22 g/mol
LogP-1.08
Rot. Bonds4

About ethyl N-amino-N-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]carbamate

ethyl N-amino-N-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]carbamate (PubChem CID 19708140) has the molecular formula C8H14N4O4 and a molecular weight of 230.22 g/mol. Its IUPAC name is ethyl N-amino-N-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]carbamate.

Molecular Properties

Compound Nameethyl N-amino-N-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]carbamate
PubChem CID19708140
Molecular FormulaC8H14N4O4
Molecular Weight230.22 g/mol
Exact Mass230.10
IUPAC Nameethyl N-amino-N-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]carbamate
SMILESCCOC(=O)N(N)CCC1NC(=O)NC1=O
InChIInChI=1S/C8H14N4O4/c1-2-16-8(15)12(9)4-3-5-6(13)11-7(14)10-5/h5H,2-4,9H2,1H3,(H2,10,11,13,14)
InChIKeyHAQZTYIYTWDGLF-UHFFFAOYSA-N
XLogP-1.08
TPSA113.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 5-1.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl N-amino-N-[3-(2,5-dioxoimidazolidin-4-yl)propyl]carbamate
CID 19708160
5-propylimidazolidine-2,4-dione
CID 567619
(5R)-5-butylimidazolidine-2,4-dione
CID 51416195
methyl 3-(2,5-dioxoimidazolidin-4-yl)-2-methylpropanoate
CID 137467945
ethyl 10-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]-8-propyltetradecanoate
CID 70510315
3-(2,5-dioxoimidazolidin-4-yl)-N-ethyl-N-[(4-methoxyphenyl)methyl]propanamide
CID 75511632
3-(2,5-dioxoimidazolidin-4-yl)propanimidamide
CID 45120829
6-[3-(2,5-dioxoimidazolidin-4-yl)propanoyloxy]hexyl 2-methylprop-2-enoate
CID 157357273
N-[2-(2-chlorophenoxy)ethyl]-3-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-methylpropanamide
CID 94463249
ethyl (4R)-2-oxo-4,6-dipropyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 93488806
ethyl 4-(2-chloroethyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 102341980
ethyl 4-butyl-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 11128419

Frequently Asked Questions

What is the IUPAC name of ethyl N-amino-N-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]carbamate?
The IUPAC name of ethyl N-amino-N-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]carbamate (CID 19708140) is ethyl N-amino-N-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]carbamate.
What is the SMILES notation for ethyl N-amino-N-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]carbamate?
The canonical SMILES for ethyl N-amino-N-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]carbamate is CCOC(=O)N(N)CCC1NC(=O)NC1=O.
What is the InChIKey of ethyl N-amino-N-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]carbamate?
The InChIKey is HAQZTYIYTWDGLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O4/c1-2-16-8(15)12(9)4-3-5-6(13)11-7(14)10-5/h5H,2-4,9H2,1H3,(H2,10,11,13,14).
What are the key properties of ethyl N-amino-N-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]carbamate?
ethyl N-amino-N-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]carbamate has a molecular weight of 230.22 g/mol, XLogP of -1.08, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-amino-N-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]carbamate is sourced from PubChem (CID 19708140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).