[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-(cyclohexanecarbonylamino)acetate

C14H21N3O5 — CID 42987354

IUPAC[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-(cyclohexanecarbonylamino)acetate
SMILESO=C(CNC(=O)C1CCCCC1)OCC(=O)N1CCNC1=O
InChIInChI=1S/C14H21N3O5/c18-11(17-7-6-15-14(17)21)9-22-12(19)8-16-13(20)10-4-2-1-3-5-10/h10H,1-9H2,(H,15,21)(H,16,20)
InChIKeyVPVJYYFMDAWFNK-UHFFFAOYSA-N
MW311.34 g/mol
LogP-0.22
Rot. Bonds5

About [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-(cyclohexanecarbonylamino)acetate

[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-(cyclohexanecarbonylamino)acetate (PubChem CID 42987354) has the molecular formula C14H21N3O5 and a molecular weight of 311.34 g/mol. Its IUPAC name is [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-(cyclohexanecarbonylamino)acetate.

Molecular Properties

Compound Name[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-(cyclohexanecarbonylamino)acetate
PubChem CID42987354
Molecular FormulaC14H21N3O5
Molecular Weight311.34 g/mol
Exact Mass311.15
IUPAC Name[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-(cyclohexanecarbonylamino)acetate
SMILESO=C(CNC(=O)C1CCCCC1)OCC(=O)N1CCNC1=O
InChIInChI=1S/C14H21N3O5/c18-11(17-7-6-15-14(17)21)9-22-12(19)8-16-13(20)10-4-2-1-3-5-10/h10H,1-9H2,(H,15,21)(H,16,20)
InChIKeyVPVJYYFMDAWFNK-UHFFFAOYSA-N
XLogP-0.22
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-[(2-fluorobenzoyl)amino]acetate
CID 9270042
[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate
CID 46812413
[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 1-(naphthalene-1-carbonyl)piperidine-3-carboxylate
CID 47012368
[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-phenylacetate
CID 7874639
N-(2-oxo-2-piperazin-1-ylethyl)cyclohexanecarboxamide;hydrochloride
CID 119260097
[2-(4-chloroanilino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate
CID 2547405
[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-(2-chlorophenoxy)acetate
CID 8908985
(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-(cyclohexanecarbonylamino)acetate
CID 3943546
ethyl 2-(cyclopropanecarbonylamino)acetate
CID 5228151
[2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate
CID 2510921
N-[3-oxo-3-(5-oxo-1,4-diazepan-1-yl)propyl]cyclopentanecarboxamide
CID 62045557
(4-chlorophenyl)methyl 2-(cyclohexanecarbonylamino)acetate
CID 8662028

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-(cyclohexanecarbonylamino)acetate?
The IUPAC name of [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-(cyclohexanecarbonylamino)acetate (CID 42987354) is [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-(cyclohexanecarbonylamino)acetate.
What is the SMILES notation for [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-(cyclohexanecarbonylamino)acetate?
The canonical SMILES for [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-(cyclohexanecarbonylamino)acetate is O=C(CNC(=O)C1CCCCC1)OCC(=O)N1CCNC1=O.
What is the InChIKey of [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-(cyclohexanecarbonylamino)acetate?
The InChIKey is VPVJYYFMDAWFNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O5/c18-11(17-7-6-15-14(17)21)9-22-12(19)8-16-13(20)10-4-2-1-3-5-10/h10H,1-9H2,(H,15,21)(H,16,20).
What are the key properties of [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-(cyclohexanecarbonylamino)acetate?
[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-(cyclohexanecarbonylamino)acetate has a molecular weight of 311.34 g/mol, XLogP of -0.22, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-(cyclohexanecarbonylamino)acetate is sourced from PubChem (CID 42987354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).