tert-butyl 2-[(3-aminocyclobutyl)-ethylamino]acetate

C12H24N2O2 — CID 86775203

IUPACtert-butyl 2-[(3-aminocyclobutyl)-ethylamino]acetate
SMILESCCN(CC(=O)OC(C)(C)C)C1CC(N)C1
InChIInChI=1S/C12H24N2O2/c1-5-14(10-6-9(13)7-10)8-11(15)16-12(2,3)4/h9-10H,5-8,13H2,1-4H3
InChIKeyKIWXWXYXZDAELW-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.14
Rot. Bonds4

About tert-butyl 2-[(3-aminocyclobutyl)-ethylamino]acetate

tert-butyl 2-[(3-aminocyclobutyl)-ethylamino]acetate (PubChem CID 86775203) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is tert-butyl 2-[(3-aminocyclobutyl)-ethylamino]acetate.

Molecular Properties

Compound Nametert-butyl 2-[(3-aminocyclobutyl)-ethylamino]acetate
PubChem CID86775203
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Nametert-butyl 2-[(3-aminocyclobutyl)-ethylamino]acetate
SMILESCCN(CC(=O)OC(C)(C)C)C1CC(N)C1
InChIInChI=1S/C12H24N2O2/c1-5-14(10-6-9(13)7-10)8-11(15)16-12(2,3)4/h9-10H,5-8,13H2,1-4H3
InChIKeyKIWXWXYXZDAELW-UHFFFAOYSA-N
XLogP1.14
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 2-[cyclopentyl(ethyl)amino]acetate
CID 137320187
tert-butyl 2-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]acetate
CID 61230595
tert-butyl 2-[amino(methyl)amino]acetate
CID 11805056
tert-butyl 2-[ethyl-[(3S)-2-oxopyrrolidin-3-yl]amino]acetate
CID 129359149
tert-butyl 2-[[(1S,2S)-2-[[(1S,2S)-2-[bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]cyclohexyl]-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]cyclohexyl]-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetate
CID 54539679
tert-butyl N-[(3S)-3-aminocyclopentyl]-N-methylcarbamate
CID 146670008
tert-butyl 3-[cyclopropyl(cyclopropylmethyl)amino]propanoate
CID 115609763
tert-butyl 2-[methyl(oxetan-3-yl)amino]acetate
CID 163286790
tert-butyl 2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]acetate
CID 61232424
tert-butyl 2-[carbamoyl(methyl)amino]acetate
CID 90191357
tert-butyl 2-[[(2R)-2-hydroxypropyl]-piperidin-4-ylamino]acetate
CID 69373448
tert-butyl N-[2-[(3-aminocyclobutyl)amino]ethyl]-N-ethylcarbamate
CID 107245345

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(3-aminocyclobutyl)-ethylamino]acetate?
The IUPAC name of tert-butyl 2-[(3-aminocyclobutyl)-ethylamino]acetate (CID 86775203) is tert-butyl 2-[(3-aminocyclobutyl)-ethylamino]acetate.
What is the SMILES notation for tert-butyl 2-[(3-aminocyclobutyl)-ethylamino]acetate?
The canonical SMILES for tert-butyl 2-[(3-aminocyclobutyl)-ethylamino]acetate is CCN(CC(=O)OC(C)(C)C)C1CC(N)C1.
What is the InChIKey of tert-butyl 2-[(3-aminocyclobutyl)-ethylamino]acetate?
The InChIKey is KIWXWXYXZDAELW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-5-14(10-6-9(13)7-10)8-11(15)16-12(2,3)4/h9-10H,5-8,13H2,1-4H3.
What are the key properties of tert-butyl 2-[(3-aminocyclobutyl)-ethylamino]acetate?
tert-butyl 2-[(3-aminocyclobutyl)-ethylamino]acetate has a molecular weight of 228.34 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(3-aminocyclobutyl)-ethylamino]acetate is sourced from PubChem (CID 86775203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).