[2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetate

C16H26N2O4 — CID 18556522

IUPAC[2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetate
SMILESCC(C)(C)NC(=O)NC(=O)COC(=O)C[C@H]1C[C@@H]2CC[C@H]1C2
InChIInChI=1S/C16H26N2O4/c1-16(2,3)18-15(21)17-13(19)9-22-14(20)8-12-7-10-4-5-11(12)6-10/h10-12H,4-9H2,1-3H3,(H2,17,18,19,21)/t10-,11+,12-/m1/s1
InChIKeyGQDQFIGJBXYGIH-GRYCIOLGSA-N
MW310.39 g/mol
LogP1.98
Rot. Bonds4

About [2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetate

[2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetate (PubChem CID 18556522) has the molecular formula C16H26N2O4 and a molecular weight of 310.39 g/mol. Its IUPAC name is [2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetate.

Molecular Properties

Compound Name[2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetate
PubChem CID18556522
Molecular FormulaC16H26N2O4
Molecular Weight310.39 g/mol
Exact Mass310.19
IUPAC Name[2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetate
SMILESCC(C)(C)NC(=O)NC(=O)COC(=O)C[C@H]1C[C@@H]2CC[C@H]1C2
InChIInChI=1S/C16H26N2O4/c1-16(2,3)18-15(21)17-13(19)9-22-14(20)8-12-7-10-4-5-11(12)6-10/h10-12H,4-9H2,1-3H3,(H2,17,18,19,21)/t10-,11+,12-/m1/s1
InChIKeyGQDQFIGJBXYGIH-GRYCIOLGSA-N
XLogP1.98
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetate with MolForge

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Related Compounds

[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl] 2-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetate
CID 11937937
[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl] 2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetate
CID 11937938
ethyl 2-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetate
CID 10655027
[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetate
CID 11932872
2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[2-(tert-butylamino)-2-oxoethyl]acetamide
CID 11923510
[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxoethyl] 2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetate
CID 11916747
[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxoethyl] 2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetate
CID 18556615
(2-anilino-2-oxoethyl) 2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]acetate
CID 21174519
(2-anilino-2-oxoethyl) 2-(2-bicyclo[2.2.1]heptanyl)acetate
CID 23739831
propyl 2-(2-bicyclo[2.2.1]heptanyl)acetate
CID 43389559
[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetate
CID 11916634
[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetate
CID 11901437

Frequently Asked Questions

What is the IUPAC name of [2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetate?
The IUPAC name of [2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetate (CID 18556522) is [2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetate.
What is the SMILES notation for [2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetate?
The canonical SMILES for [2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetate is CC(C)(C)NC(=O)NC(=O)COC(=O)C[C@H]1C[C@@H]2CC[C@H]1C2.
What is the InChIKey of [2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetate?
The InChIKey is GQDQFIGJBXYGIH-GRYCIOLGSA-N. The full InChI is InChI=1S/C16H26N2O4/c1-16(2,3)18-15(21)17-13(19)9-22-14(20)8-12-7-10-4-5-11(12)6-10/h10-12H,4-9H2,1-3H3,(H2,17,18,19,21)/t10-,11+,12-/m1/s1.
What are the key properties of [2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetate?
[2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetate has a molecular weight of 310.39 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetate is sourced from PubChem (CID 18556522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).