4-methylpentan-2-yl 2-(1-aminocyclobutyl)acetate

C12H23NO2 — CID 79845276

IUPAC4-methylpentan-2-yl 2-(1-aminocyclobutyl)acetate
SMILESCC(C)CC(C)OC(=O)CC1(N)CCC1
InChIInChI=1S/C12H23NO2/c1-9(2)7-10(3)15-11(14)8-12(13)5-4-6-12/h9-10H,4-8,13H2,1-3H3
InChIKeyWDDPQGOMYATJPP-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.24
Rot. Bonds5

About 4-methylpentan-2-yl 2-(1-aminocyclobutyl)acetate

4-methylpentan-2-yl 2-(1-aminocyclobutyl)acetate (PubChem CID 79845276) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 4-methylpentan-2-yl 2-(1-aminocyclobutyl)acetate.

Molecular Properties

Compound Name4-methylpentan-2-yl 2-(1-aminocyclobutyl)acetate
PubChem CID79845276
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name4-methylpentan-2-yl 2-(1-aminocyclobutyl)acetate
SMILESCC(C)CC(C)OC(=O)CC1(N)CCC1
InChIInChI=1S/C12H23NO2/c1-9(2)7-10(3)15-11(14)8-12(13)5-4-6-12/h9-10H,4-8,13H2,1-3H3
InChIKeyWDDPQGOMYATJPP-UHFFFAOYSA-N
XLogP2.24
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

butan-2-yl 2-(1-aminocyclopentyl)acetate
CID 64701975
octan-2-yl 2-(1-aminocyclopentyl)acetate
CID 64700419
4-methylpentan-2-yl 1-aminocycloheptane-1-carboxylate
CID 61279429
2-(2-methylpropoxy)ethyl 2-(1-aminocyclobutyl)acetate
CID 106448206
propyl 2-(1-aminocyclobutyl)acetate
CID 79846380
2-(1-aminocyclobutyl)-N-(1-hydroxy-4-methylpentan-2-yl)acetamide
CID 79853679
[(2S)-4-methylpentan-2-yl] 2-bromoacetate
CID 56607260
bis(4-methylpentan-2-yl) pentanedioate
CID 87115694
1-methoxypropan-2-yl 2-[1-(aminomethyl)cyclobutyl]acetate
CID 81161403
[(2S)-4-methylpentan-2-yl] carbonochloridate
CID 92951159
2-[[2-(1-aminocyclobutyl)acetyl]amino]propanamide
CID 79851893
2-(1-aminocyclobutyl)-N-[2-(2-methylpropoxy)ethyl]acetamide
CID 115738452

Frequently Asked Questions

What is the IUPAC name of 4-methylpentan-2-yl 2-(1-aminocyclobutyl)acetate?
The IUPAC name of 4-methylpentan-2-yl 2-(1-aminocyclobutyl)acetate (CID 79845276) is 4-methylpentan-2-yl 2-(1-aminocyclobutyl)acetate.
What is the SMILES notation for 4-methylpentan-2-yl 2-(1-aminocyclobutyl)acetate?
The canonical SMILES for 4-methylpentan-2-yl 2-(1-aminocyclobutyl)acetate is CC(C)CC(C)OC(=O)CC1(N)CCC1.
What is the InChIKey of 4-methylpentan-2-yl 2-(1-aminocyclobutyl)acetate?
The InChIKey is WDDPQGOMYATJPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-9(2)7-10(3)15-11(14)8-12(13)5-4-6-12/h9-10H,4-8,13H2,1-3H3.
What are the key properties of 4-methylpentan-2-yl 2-(1-aminocyclobutyl)acetate?
4-methylpentan-2-yl 2-(1-aminocyclobutyl)acetate has a molecular weight of 213.32 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylpentan-2-yl 2-(1-aminocyclobutyl)acetate is sourced from PubChem (CID 79845276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).