(2-oxo-2-pyrrolidin-1-ylethyl) 2-[[2-(1-adamantyl)acetyl]amino]acetate

C20H30N2O4 — CID 7755543

IUPAC(2-oxo-2-pyrrolidin-1-ylethyl) 2-[[2-(1-adamantyl)acetyl]amino]acetate
SMILESO=C(CC12CC3CC(CC(C3)C1)C2)NCC(=O)OCC(=O)N1CCCC1
InChIInChI=1S/C20H30N2O4/c23-17(11-20-8-14-5-15(9-20)7-16(6-14)10-20)21-12-19(25)26-13-18(24)22-3-1-2-4-22/h14-16H,1-13H2,(H,21,23)
InChIKeyMFWSOGPUVNJKHV-UHFFFAOYSA-N
MW362.47 g/mol
LogP1.87
Rot. Bonds6

About (2-oxo-2-pyrrolidin-1-ylethyl) 2-[[2-(1-adamantyl)acetyl]amino]acetate

(2-oxo-2-pyrrolidin-1-ylethyl) 2-[[2-(1-adamantyl)acetyl]amino]acetate (PubChem CID 7755543) has the molecular formula C20H30N2O4 and a molecular weight of 362.47 g/mol. Its IUPAC name is (2-oxo-2-pyrrolidin-1-ylethyl) 2-[[2-(1-adamantyl)acetyl]amino]acetate.

Molecular Properties

Compound Name(2-oxo-2-pyrrolidin-1-ylethyl) 2-[[2-(1-adamantyl)acetyl]amino]acetate
PubChem CID7755543
Molecular FormulaC20H30N2O4
Molecular Weight362.47 g/mol
Exact Mass362.22
IUPAC Name(2-oxo-2-pyrrolidin-1-ylethyl) 2-[[2-(1-adamantyl)acetyl]amino]acetate
SMILESO=C(CC12CC3CC(CC(C3)C1)C2)NCC(=O)OCC(=O)N1CCCC1
InChIInChI=1S/C20H30N2O4/c23-17(11-20-8-14-5-15(9-20)7-16(6-14)10-20)21-12-19(25)26-13-18(24)22-3-1-2-4-22/h14-16H,1-13H2,(H,21,23)
InChIKeyMFWSOGPUVNJKHV-UHFFFAOYSA-N
XLogP1.87
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate
CID 55355829
[2-[di(propan-2-yl)amino]-2-oxoethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate
CID 7360351
[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate
CID 7251696
(2-oxo-2-pyrrolidin-1-ylethyl) 2-[(5S,7R)-3-bromo-1-adamantyl]acetate
CID 2377224
(3S)-1-[2-[[2-(1-adamantyl)acetyl]amino]acetyl]piperidine-3-carboxylic acid
CID 99718207
[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate
CID 7251664
[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate
CID 55469236
[2-(4-fluorophenyl)-2-oxoethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate
CID 7251646
2-(1-adamantyl)-N-[2-[4-(4-methylpentanoyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 55976680
[2-[[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate
CID 7755373
[2-(4-ethylanilino)-2-oxoethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate
CID 7251677
ethyl N-[1-[2-[[2-(1-adamantyl)acetyl]amino]acetyl]piperidin-3-yl]carbamate
CID 55844696

Frequently Asked Questions

What is the IUPAC name of (2-oxo-2-pyrrolidin-1-ylethyl) 2-[[2-(1-adamantyl)acetyl]amino]acetate?
The IUPAC name of (2-oxo-2-pyrrolidin-1-ylethyl) 2-[[2-(1-adamantyl)acetyl]amino]acetate (CID 7755543) is (2-oxo-2-pyrrolidin-1-ylethyl) 2-[[2-(1-adamantyl)acetyl]amino]acetate.
What is the SMILES notation for (2-oxo-2-pyrrolidin-1-ylethyl) 2-[[2-(1-adamantyl)acetyl]amino]acetate?
The canonical SMILES for (2-oxo-2-pyrrolidin-1-ylethyl) 2-[[2-(1-adamantyl)acetyl]amino]acetate is O=C(CC12CC3CC(CC(C3)C1)C2)NCC(=O)OCC(=O)N1CCCC1.
What is the InChIKey of (2-oxo-2-pyrrolidin-1-ylethyl) 2-[[2-(1-adamantyl)acetyl]amino]acetate?
The InChIKey is MFWSOGPUVNJKHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O4/c23-17(11-20-8-14-5-15(9-20)7-16(6-14)10-20)21-12-19(25)26-13-18(24)22-3-1-2-4-22/h14-16H,1-13H2,(H,21,23).
What are the key properties of (2-oxo-2-pyrrolidin-1-ylethyl) 2-[[2-(1-adamantyl)acetyl]amino]acetate?
(2-oxo-2-pyrrolidin-1-ylethyl) 2-[[2-(1-adamantyl)acetyl]amino]acetate has a molecular weight of 362.47 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-2-pyrrolidin-1-ylethyl) 2-[[2-(1-adamantyl)acetyl]amino]acetate is sourced from PubChem (CID 7755543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).