[2-(1-adamantylmethylamino)-2-oxoethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

C21H34N2O5 — CID 8735075

IUPAC[2-(1-adamantylmethylamino)-2-oxoethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
SMILESCC(C)(C)OC(=O)NCCC(=O)OCC(=O)NCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C21H34N2O5/c1-20(2,3)28-19(26)22-5-4-18(25)27-12-17(24)23-13-21-9-14-6-15(10-21)8-16(7-14)11-21/h14-16H,4-13H2,1-3H3,(H,22,26)(H,23,24)
InChIKeyMAKRIBSYBBYIIA-UHFFFAOYSA-N
MW394.51 g/mol
LogP2.78
Rot. Bonds7

About [2-(1-adamantylmethylamino)-2-oxoethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

[2-(1-adamantylmethylamino)-2-oxoethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate (PubChem CID 8735075) has the molecular formula C21H34N2O5 and a molecular weight of 394.51 g/mol. Its IUPAC name is [2-(1-adamantylmethylamino)-2-oxoethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate.

Molecular Properties

Compound Name[2-(1-adamantylmethylamino)-2-oxoethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
PubChem CID8735075
Molecular FormulaC21H34N2O5
Molecular Weight394.51 g/mol
Exact Mass394.25
IUPAC Name[2-(1-adamantylmethylamino)-2-oxoethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
SMILESCC(C)(C)OC(=O)NCCC(=O)OCC(=O)NCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C21H34N2O5/c1-20(2,3)28-19(26)22-5-4-18(25)27-12-17(24)23-13-21-9-14-6-15(10-21)8-16(7-14)11-21/h14-16H,4-13H2,1-3H3,(H,22,26)(H,23,24)
InChIKeyMAKRIBSYBBYIIA-UHFFFAOYSA-N
XLogP2.78
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.51
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-(1-adamantylmethylamino)-2-oxoethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate with MolForge

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Related Compounds

[2-[[(1S)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 8734397
2-[2-[2-[4-(1-adamantylmethylamino)-4-oxobutanoyl]oxyethoxy]ethoxy]ethyl 4-(1-adamantylmethylamino)-4-oxobutanoate
CID 123176729
[2-(1-adamantylmethylamino)-2-oxoethyl] 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoate
CID 8658096
ethyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 15933116
[2-(1-adamantylmethylamino)-2-oxoethyl] 2-[(1S,2R,3R)-3-methyl-2-(nitromethyl)-5-oxocyclopentyl]acetate
CID 11915293
[2-(1-adamantylmethylamino)-2-oxoethyl] (1R)-2,2-dichloro-1-methylcyclopropane-1-carboxylate
CID 9454539
tert-butyl (2S)-2-(1-adamantylmethoxycarbonylamino)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 68828668
[2-(1-adamantylmethylamino)-2-oxoethyl]-tert-butylazanium
CID 7071750
methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 11687095
[2-(1-adamantylmethylamino)-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate
CID 9363782
tert-butyl N-[4-[1-adamantyl(methyl)amino]butyl]carbamate
CID 164762963
tert-butyl N-[(3-amino-1-methylcyclobutyl)methyl]carbamate
CID 105468024

Frequently Asked Questions

What is the IUPAC name of [2-(1-adamantylmethylamino)-2-oxoethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
The IUPAC name of [2-(1-adamantylmethylamino)-2-oxoethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate (CID 8735075) is [2-(1-adamantylmethylamino)-2-oxoethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate.
What is the SMILES notation for [2-(1-adamantylmethylamino)-2-oxoethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
The canonical SMILES for [2-(1-adamantylmethylamino)-2-oxoethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate is CC(C)(C)OC(=O)NCCC(=O)OCC(=O)NCC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of [2-(1-adamantylmethylamino)-2-oxoethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
The InChIKey is MAKRIBSYBBYIIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N2O5/c1-20(2,3)28-19(26)22-5-4-18(25)27-12-17(24)23-13-21-9-14-6-15(10-21)8-16(7-14)11-21/h14-16H,4-13H2,1-3H3,(H,22,26)(H,23,24).
What are the key properties of [2-(1-adamantylmethylamino)-2-oxoethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
[2-(1-adamantylmethylamino)-2-oxoethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate has a molecular weight of 394.51 g/mol, XLogP of 2.78, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-adamantylmethylamino)-2-oxoethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate is sourced from PubChem (CID 8735075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).