tert-butyl 2-[methyl(oxetan-3-yl)amino]acetate

C10H19NO3 — CID 163286790

IUPACtert-butyl 2-[methyl(oxetan-3-yl)amino]acetate
SMILESCN(CC(=O)OC(C)(C)C)C1COC1
InChIInChI=1S/C10H19NO3/c1-10(2,3)14-9(12)5-11(4)8-6-13-7-8/h8H,5-7H2,1-4H3
InChIKeyWEVJNECZDQPCDV-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.66
Rot. Bonds3

About tert-butyl 2-[methyl(oxetan-3-yl)amino]acetate

tert-butyl 2-[methyl(oxetan-3-yl)amino]acetate (PubChem CID 163286790) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is tert-butyl 2-[methyl(oxetan-3-yl)amino]acetate.

Molecular Properties

Compound Nametert-butyl 2-[methyl(oxetan-3-yl)amino]acetate
PubChem CID163286790
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Nametert-butyl 2-[methyl(oxetan-3-yl)amino]acetate
SMILESCN(CC(=O)OC(C)(C)C)C1COC1
InChIInChI=1S/C10H19NO3/c1-10(2,3)14-9(12)5-11(4)8-6-13-7-8/h8H,5-7H2,1-4H3
InChIKeyWEVJNECZDQPCDV-UHFFFAOYSA-N
XLogP0.66
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 61232424
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tert-butyl 2-[amino(methyl)amino]acetate
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CID 54539679
tert-butyl 3-[cyclopropyl(methyl)amino]propanoate
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[2-[methyl(oxolan-3-yl)amino]acetyl] 2,2,2-trifluoroacetate
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tert-butyl N-methyl-N-[2-[methyl-[(3S)-oxolan-3-yl]amino]ethyl]carbamate
CID 129433606
tert-butyl 2-[(2-methoxyacetyl)-(oxan-4-yl)amino]acetate
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propan-2-yl 2-[methyl(oxolan-3-yl)amino]acetate
CID 78947797
tert-butyl 2-[carbamoyl(methyl)amino]acetate
CID 90191357
N-methyl-N-[3-[(2-methylpropan-2-yl)oxy]propyl]oxetan-3-amine
CID 176757767
tert-butyl 2-[2-[cyclopentyl(methyl)amino]ethylamino]acetate
CID 63318559

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[methyl(oxetan-3-yl)amino]acetate?
The IUPAC name of tert-butyl 2-[methyl(oxetan-3-yl)amino]acetate (CID 163286790) is tert-butyl 2-[methyl(oxetan-3-yl)amino]acetate.
What is the SMILES notation for tert-butyl 2-[methyl(oxetan-3-yl)amino]acetate?
The canonical SMILES for tert-butyl 2-[methyl(oxetan-3-yl)amino]acetate is CN(CC(=O)OC(C)(C)C)C1COC1.
What is the InChIKey of tert-butyl 2-[methyl(oxetan-3-yl)amino]acetate?
The InChIKey is WEVJNECZDQPCDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-10(2,3)14-9(12)5-11(4)8-6-13-7-8/h8H,5-7H2,1-4H3.
What are the key properties of tert-butyl 2-[methyl(oxetan-3-yl)amino]acetate?
tert-butyl 2-[methyl(oxetan-3-yl)amino]acetate has a molecular weight of 201.27 g/mol, XLogP of 0.66, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[methyl(oxetan-3-yl)amino]acetate is sourced from PubChem (CID 163286790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).