[2-(carbamoylamino)-2-oxoethyl] adamantane-1-carboxylate

C14H20N2O4 — CID 4534845

IUPAC[2-(carbamoylamino)-2-oxoethyl] adamantane-1-carboxylate
SMILESNC(=O)NC(=O)COC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C14H20N2O4/c15-13(19)16-11(17)7-20-12(18)14-4-8-1-9(5-14)3-10(2-8)6-14/h8-10H,1-7H2,(H3,15,16,17,19)
InChIKeyJXLFMMUJUQVHFY-UHFFFAOYSA-N
MW280.32 g/mol
LogP0.94
Rot. Bonds3

About [2-(carbamoylamino)-2-oxoethyl] adamantane-1-carboxylate

[2-(carbamoylamino)-2-oxoethyl] adamantane-1-carboxylate (PubChem CID 4534845) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is [2-(carbamoylamino)-2-oxoethyl] adamantane-1-carboxylate.

Molecular Properties

Compound Name[2-(carbamoylamino)-2-oxoethyl] adamantane-1-carboxylate
PubChem CID4534845
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name[2-(carbamoylamino)-2-oxoethyl] adamantane-1-carboxylate
SMILESNC(=O)NC(=O)COC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C14H20N2O4/c15-13(19)16-11(17)7-20-12(18)14-4-8-1-9(5-14)3-10(2-8)6-14/h8-10H,1-7H2,(H3,15,16,17,19)
InChIKeyJXLFMMUJUQVHFY-UHFFFAOYSA-N
XLogP0.94
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(methylcarbamoylamino)-2-oxoethyl] adamantane-1-carboxylate
CID 4310551
[2-(2-adamantylamino)-2-oxoethyl] adamantane-1-carboxylate
CID 7514400
[2-(cyclooctylamino)-2-oxoethyl] adamantane-1-carboxylate
CID 23761708
[2-(benzylcarbamoylamino)-2-oxoethyl] adamantane-1-carboxylate
CID 4024964
[2-oxo-2-(trifluoromethylsulfonylamino)ethyl] adamantane-1-carboxylate
CID 58030646
[2-(4-acetamidoanilino)-2-oxoethyl] adamantane-1-carboxylate
CID 4877219
[2-[(2-methylcyclohexyl)amino]-2-oxoethyl] adamantane-1-carboxylate
CID 4237168
[2-[(1-methoxy-3-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] adamantane-1-carboxylate
CID 18201052
[2-oxo-2-[[(2S)-1-oxo-1-(propylamino)propan-2-yl]amino]ethyl] adamantane-1-carboxylate
CID 9017863
[2-(2-fluoroanilino)-2-oxoethyl] adamantane-1-carboxylate
CID 5008790
[2-(1-adamantylamino)-2-oxoethyl] (5R,7R)-3-hydroxyadamantane-1-carboxylate
CID 18532833
[2-(naphthalen-1-ylamino)-2-oxoethyl] adamantane-1-carboxylate
CID 7867122

Frequently Asked Questions

What is the IUPAC name of [2-(carbamoylamino)-2-oxoethyl] adamantane-1-carboxylate?
The IUPAC name of [2-(carbamoylamino)-2-oxoethyl] adamantane-1-carboxylate (CID 4534845) is [2-(carbamoylamino)-2-oxoethyl] adamantane-1-carboxylate.
What is the SMILES notation for [2-(carbamoylamino)-2-oxoethyl] adamantane-1-carboxylate?
The canonical SMILES for [2-(carbamoylamino)-2-oxoethyl] adamantane-1-carboxylate is NC(=O)NC(=O)COC(=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of [2-(carbamoylamino)-2-oxoethyl] adamantane-1-carboxylate?
The InChIKey is JXLFMMUJUQVHFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c15-13(19)16-11(17)7-20-12(18)14-4-8-1-9(5-14)3-10(2-8)6-14/h8-10H,1-7H2,(H3,15,16,17,19).
What are the key properties of [2-(carbamoylamino)-2-oxoethyl] adamantane-1-carboxylate?
[2-(carbamoylamino)-2-oxoethyl] adamantane-1-carboxylate has a molecular weight of 280.32 g/mol, XLogP of 0.94, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(carbamoylamino)-2-oxoethyl] adamantane-1-carboxylate is sourced from PubChem (CID 4534845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).