tert-butyl 2-[1-[(propan-2-ylamino)methyl]cyclobutyl]acetate

C14H27NO2 — CID 59833239

IUPACtert-butyl 2-[1-[(propan-2-ylamino)methyl]cyclobutyl]acetate
SMILESCC(C)NCC1(CC(=O)OC(C)(C)C)CCC1
InChIInChI=1S/C14H27NO2/c1-11(2)15-10-14(7-6-8-14)9-12(16)17-13(3,4)5/h11,15H,6-10H2,1-5H3
InChIKeyLPBTZMQXBDAIAQ-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.89
Rot. Bonds5

About tert-butyl 2-[1-[(propan-2-ylamino)methyl]cyclobutyl]acetate

tert-butyl 2-[1-[(propan-2-ylamino)methyl]cyclobutyl]acetate (PubChem CID 59833239) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is tert-butyl 2-[1-[(propan-2-ylamino)methyl]cyclobutyl]acetate.

Molecular Properties

Compound Nametert-butyl 2-[1-[(propan-2-ylamino)methyl]cyclobutyl]acetate
PubChem CID59833239
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Nametert-butyl 2-[1-[(propan-2-ylamino)methyl]cyclobutyl]acetate
SMILESCC(C)NCC1(CC(=O)OC(C)(C)C)CCC1
InChIInChI=1S/C14H27NO2/c1-11(2)15-10-14(7-6-8-14)9-12(16)17-13(3,4)5/h11,15H,6-10H2,1-5H3
InChIKeyLPBTZMQXBDAIAQ-UHFFFAOYSA-N
XLogP2.89
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 2-[1-(aminomethyl)cyclobutyl]acetate
CID 81161398
tert-butyl 2-[1-[(2-sulfanylethylamino)methyl]cyclohexyl]acetate;2-[1-[(2-sulfanylethylamino)methyl]cyclohexyl]acetic acid
CID 159848608
2-[1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclobutyl]acetic acid
CID 81165533
tert-butyl 3-[[1-(hydroxymethyl)cyclohexyl]methylamino]propanoate
CID 103263101
tert-butyl 3-(1-cyclohexylethylamino)propanoate
CID 103729841
tert-butyl 2-(1-hydroxycyclobutyl)oxyacetate
CID 137480139
methyl 2-[1-(acetamidomethyl)cyclopentyl]acetate
CID 142068659
tert-butyl 2-[(1-ethylcyclopropyl)methylamino]propanoate
CID 103734836
tert-butyl N-[(1S,2S)-2-(hydroxymethyl)-1-[(propan-2-ylamino)methyl]cyclopropyl]carbamate
CID 90323073
tert-butyl N-[(1R,2R)-2-(hydroxymethyl)-1-[(propan-2-ylamino)methyl]cyclopropyl]carbamate
CID 90323155
tert-butyl 3-(1-hydroxycyclobutyl)propanoate
CID 10910542
2-[(1S,3R)-3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclopentyl]acetic acid
CID 58626989

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[1-[(propan-2-ylamino)methyl]cyclobutyl]acetate?
The IUPAC name of tert-butyl 2-[1-[(propan-2-ylamino)methyl]cyclobutyl]acetate (CID 59833239) is tert-butyl 2-[1-[(propan-2-ylamino)methyl]cyclobutyl]acetate.
What is the SMILES notation for tert-butyl 2-[1-[(propan-2-ylamino)methyl]cyclobutyl]acetate?
The canonical SMILES for tert-butyl 2-[1-[(propan-2-ylamino)methyl]cyclobutyl]acetate is CC(C)NCC1(CC(=O)OC(C)(C)C)CCC1.
What is the InChIKey of tert-butyl 2-[1-[(propan-2-ylamino)methyl]cyclobutyl]acetate?
The InChIKey is LPBTZMQXBDAIAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-11(2)15-10-14(7-6-8-14)9-12(16)17-13(3,4)5/h11,15H,6-10H2,1-5H3.
What are the key properties of tert-butyl 2-[1-[(propan-2-ylamino)methyl]cyclobutyl]acetate?
tert-butyl 2-[1-[(propan-2-ylamino)methyl]cyclobutyl]acetate has a molecular weight of 241.37 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[1-[(propan-2-ylamino)methyl]cyclobutyl]acetate is sourced from PubChem (CID 59833239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).