tert-butyl 2-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]acetate

C14H27NO3 — CID 81463231

IUPACtert-butyl 2-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]acetate
SMILESCCOC1CC(NCC(=O)OC(C)(C)C)C1(C)C
InChIInChI=1S/C14H27NO3/c1-7-17-11-8-10(14(11,5)6)15-9-12(16)18-13(2,3)4/h10-11,15H,7-9H2,1-6H3
InChIKeyQVDMGCDJKLBQGS-UHFFFAOYSA-N
MW257.37 g/mol
LogP2.12
Rot. Bonds5

About tert-butyl 2-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]acetate

tert-butyl 2-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]acetate (PubChem CID 81463231) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is tert-butyl 2-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]acetate.

Molecular Properties

Compound Nametert-butyl 2-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]acetate
PubChem CID81463231
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Nametert-butyl 2-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]acetate
SMILESCCOC1CC(NCC(=O)OC(C)(C)C)C1(C)C
InChIInChI=1S/C14H27NO3/c1-7-17-11-8-10(14(11,5)6)15-9-12(16)18-13(2,3)4/h10-11,15H,7-9H2,1-6H3
InChIKeyQVDMGCDJKLBQGS-UHFFFAOYSA-N
XLogP2.12
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]carbamate
CID 107237358
2-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-N-ethylacetamide
CID 64850730
tert-butyl N-[3-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-2,2-difluoropropyl]carbamate
CID 107257534
tert-butyl N-[3-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]cyclobutyl]carbamate
CID 107239129
3-ethoxy-2,2-dimethyl-N-[(2-methylpropan-2-yl)oxy]cyclobutan-1-amine
CID 82719565
cis-(1R,3S)-3-ethoxy-2,2-dimethyl-N-propylcyclobutan-1-amine
CID 95241171
1-(dimethylamino)-3-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-2-methylpropan-2-ol
CID 103922036
tert-butyl (4S)-3-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-4-methoxypyrrolidine-1-carboxylate
CID 113352246
3-ethoxy-2,2-dimethyl-N-(2-phenylprop-2-enyl)cyclobutan-1-amine
CID 103921124
1-[[(3-ethoxy-2,2-dimethylcyclobutyl)amino]methyl]-4,4-dimethylcyclohexan-1-ol
CID 65117230
ethyl 2-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]propanoate
CID 64688546
2-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-4-methylpentanoic acid
CID 64853101

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]acetate?
The IUPAC name of tert-butyl 2-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]acetate (CID 81463231) is tert-butyl 2-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]acetate.
What is the SMILES notation for tert-butyl 2-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]acetate?
The canonical SMILES for tert-butyl 2-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]acetate is CCOC1CC(NCC(=O)OC(C)(C)C)C1(C)C.
What is the InChIKey of tert-butyl 2-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]acetate?
The InChIKey is QVDMGCDJKLBQGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3/c1-7-17-11-8-10(14(11,5)6)15-9-12(16)18-13(2,3)4/h10-11,15H,7-9H2,1-6H3.
What are the key properties of tert-butyl 2-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]acetate?
tert-butyl 2-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]acetate has a molecular weight of 257.37 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]acetate is sourced from PubChem (CID 81463231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).