[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-(adamantane-1-carbonylamino)propanoate

C20H31N3O5 — CID 8509142

IUPAC[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-(adamantane-1-carbonylamino)propanoate
SMILESCC(C)NC(=O)NC(=O)COC(=O)CCNC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H31N3O5/c1-12(2)22-19(27)23-16(24)11-28-17(25)3-4-21-18(26)20-8-13-5-14(9-20)7-15(6-13)10-20/h12-15H,3-11H2,1-2H3,(H,21,26)(H2,22,23,24,27)
InChIKeyAZIWRDGDWMCWKW-UHFFFAOYSA-N
MW393.48 g/mol
LogP1.49
Rot. Bonds7

About [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-(adamantane-1-carbonylamino)propanoate

[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-(adamantane-1-carbonylamino)propanoate (PubChem CID 8509142) has the molecular formula C20H31N3O5 and a molecular weight of 393.48 g/mol. Its IUPAC name is [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-(adamantane-1-carbonylamino)propanoate.

Molecular Properties

Compound Name[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-(adamantane-1-carbonylamino)propanoate
PubChem CID8509142
Molecular FormulaC20H31N3O5
Molecular Weight393.48 g/mol
Exact Mass393.23
IUPAC Name[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-(adamantane-1-carbonylamino)propanoate
SMILESCC(C)NC(=O)NC(=O)COC(=O)CCNC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H31N3O5/c1-12(2)22-19(27)23-16(24)11-28-17(25)3-4-21-18(26)20-8-13-5-14(9-20)7-15(6-13)10-20/h12-15H,3-11H2,1-2H3,(H,21,26)(H2,22,23,24,27)
InChIKeyAZIWRDGDWMCWKW-UHFFFAOYSA-N
XLogP1.49
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.48
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2-amino-2-oxoethyl) 3-(adamantane-1-carbonylamino)propanoate
CID 8528535
[2-(methylcarbamoylamino)-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate
CID 3258718
[2-oxo-2-(thiophene-2-carbonylamino)ethyl] 3-(adamantane-1-carbonylamino)propanoate
CID 8529028
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] (5S,7R)-3-chloroadamantane-1-carboxylate
CID 2406578
[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-(adamantane-1-carbonylamino)propanoate
CID 8528272
[2-(2,5-dimethylanilino)-2-oxoethyl] 3-(adamantane-1-carbonylamino)propanoate
CID 8528825
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] (2S)-2-(adamantane-1-carbonylamino)propanoate
CID 8888670
2-tert-butylsulfanylethyl 3-(adamantane-1-carbonylamino)propanoate
CID 86944040
[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 3-(adamantane-1-carbonylamino)propanoate
CID 8528675
(2-morpholin-4-yl-2-oxoethyl) 3-(adamantane-1-carbonylamino)propanoate
CID 8528600
[2-(methylamino)-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate
CID 3667781
[2-[[(1S)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 8734397

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-(adamantane-1-carbonylamino)propanoate?
The IUPAC name of [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-(adamantane-1-carbonylamino)propanoate (CID 8509142) is [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-(adamantane-1-carbonylamino)propanoate.
What is the SMILES notation for [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-(adamantane-1-carbonylamino)propanoate?
The canonical SMILES for [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-(adamantane-1-carbonylamino)propanoate is CC(C)NC(=O)NC(=O)COC(=O)CCNC(=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-(adamantane-1-carbonylamino)propanoate?
The InChIKey is AZIWRDGDWMCWKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O5/c1-12(2)22-19(27)23-16(24)11-28-17(25)3-4-21-18(26)20-8-13-5-14(9-20)7-15(6-13)10-20/h12-15H,3-11H2,1-2H3,(H,21,26)(H2,22,23,24,27).
What are the key properties of [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-(adamantane-1-carbonylamino)propanoate?
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-(adamantane-1-carbonylamino)propanoate has a molecular weight of 393.48 g/mol, XLogP of 1.49, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-(adamantane-1-carbonylamino)propanoate is sourced from PubChem (CID 8509142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).