[(2R)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 2-[[2-(1-adamantyl)acetyl]amino]acetate

C23H34N4O4 — CID 8881634

IUPAC[(2R)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 2-[[2-(1-adamantyl)acetyl]amino]acetate
SMILESCc1nn(C)c(C)c1NC(=O)[C@@H](C)OC(=O)CNC(=O)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C23H34N4O4/c1-13-21(14(2)27(4)26-13)25-22(30)15(3)31-20(29)12-24-19(28)11-23-8-16-5-17(9-23)7-18(6-16)10-23/h15-18H,5-12H2,1-4H3,(H,24,28)(H,25,30)/t15-,16?,17?,18?,23?/m1/s1
InChIKeyCOHOXCBGTSIMGZ-LRYXAPPNSA-N
MW430.55 g/mol
LogP2.63
Rot. Bonds7

About [(2R)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 2-[[2-(1-adamantyl)acetyl]amino]acetate

[(2R)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 2-[[2-(1-adamantyl)acetyl]amino]acetate (PubChem CID 8881634) has the molecular formula C23H34N4O4 and a molecular weight of 430.55 g/mol. Its IUPAC name is [(2R)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 2-[[2-(1-adamantyl)acetyl]amino]acetate.

Molecular Properties

Compound Name[(2R)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 2-[[2-(1-adamantyl)acetyl]amino]acetate
PubChem CID8881634
Molecular FormulaC23H34N4O4
Molecular Weight430.55 g/mol
Exact Mass430.26
IUPAC Name[(2R)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 2-[[2-(1-adamantyl)acetyl]amino]acetate
SMILESCc1nn(C)c(C)c1NC(=O)[C@@H](C)OC(=O)CNC(=O)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C23H34N4O4/c1-13-21(14(2)27(4)26-13)25-22(30)15(3)31-20(29)12-24-19(28)11-23-8-16-5-17(9-23)7-18(6-16)10-23/h15-18H,5-12H2,1-4H3,(H,24,28)(H,25,30)/t15-,16?,17?,18?,23?/m1/s1
InChIKeyCOHOXCBGTSIMGZ-LRYXAPPNSA-N
XLogP2.63
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [(2R)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 2-[[2-(1-adamantyl)acetyl]amino]acetate with MolForge

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Related Compounds

[1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 2-[(2-phenoxyacetyl)amino]acetate
CID 55405256
[(2R)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 2-[(4-chlorobenzoyl)amino]acetate
CID 8749560
[(2S)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 2-[[2-(1-adamantyl)acetyl]amino]acetate
CID 8942981
[(2R)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 2-[[2-(1-adamantyl)acetyl]amino]acetate
CID 8942988
(2R)-N'-[2-(1-adamantyl)acetyl]-2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanehydrazide
CID 95777128
[(2R)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 2-[(3R)-1,1-dioxothiolan-3-yl]acetate
CID 9134802
[(2S)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] cyclopentanecarboxylate
CID 8649353
[1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 2-(4-methylphenyl)acetate
CID 55404638
[(1S)-1-phenylethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate
CID 7755317
[(2R)-1-(1-adamantyl)-1-oxopropan-2-yl] 2-(1,3,5-trimethylpyrazol-4-yl)acetate
CID 41403571
[(2S)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 2-(4-methylphenyl)acetate
CID 8972382
[(2R)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 2-(2-methylphenyl)acetate
CID 8935155

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 2-[[2-(1-adamantyl)acetyl]amino]acetate?
The IUPAC name of [(2R)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 2-[[2-(1-adamantyl)acetyl]amino]acetate (CID 8881634) is [(2R)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 2-[[2-(1-adamantyl)acetyl]amino]acetate.
What is the SMILES notation for [(2R)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 2-[[2-(1-adamantyl)acetyl]amino]acetate?
The canonical SMILES for [(2R)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 2-[[2-(1-adamantyl)acetyl]amino]acetate is Cc1nn(C)c(C)c1NC(=O)[C@@H](C)OC(=O)CNC(=O)CC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of [(2R)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 2-[[2-(1-adamantyl)acetyl]amino]acetate?
The InChIKey is COHOXCBGTSIMGZ-LRYXAPPNSA-N. The full InChI is InChI=1S/C23H34N4O4/c1-13-21(14(2)27(4)26-13)25-22(30)15(3)31-20(29)12-24-19(28)11-23-8-16-5-17(9-23)7-18(6-16)10-23/h15-18H,5-12H2,1-4H3,(H,24,28)(H,25,30)/t15-,16?,17?,18?,23?/m1/s1.
What are the key properties of [(2R)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 2-[[2-(1-adamantyl)acetyl]amino]acetate?
[(2R)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 2-[[2-(1-adamantyl)acetyl]amino]acetate has a molecular weight of 430.55 g/mol, XLogP of 2.63, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 2-[[2-(1-adamantyl)acetyl]amino]acetate is sourced from PubChem (CID 8881634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).