methyl 3-[cyclobutyl(3-hydroxypropyl)amino]-2,2-dimethylpropanoate

C13H25NO3 — CID 102858467

IUPACmethyl 3-[cyclobutyl(3-hydroxypropyl)amino]-2,2-dimethylpropanoate
SMILESCOC(=O)C(C)(C)CN(CCCO)C1CCC1
InChIInChI=1S/C13H25NO3/c1-13(2,12(16)17-3)10-14(8-5-9-15)11-6-4-7-11/h11,15H,4-10H2,1-3H3
InChIKeyCLQJOMWTQAHXAG-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.42
Rot. Bonds7

About methyl 3-[cyclobutyl(3-hydroxypropyl)amino]-2,2-dimethylpropanoate

methyl 3-[cyclobutyl(3-hydroxypropyl)amino]-2,2-dimethylpropanoate (PubChem CID 102858467) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is methyl 3-[cyclobutyl(3-hydroxypropyl)amino]-2,2-dimethylpropanoate.

Molecular Properties

Compound Namemethyl 3-[cyclobutyl(3-hydroxypropyl)amino]-2,2-dimethylpropanoate
PubChem CID102858467
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Namemethyl 3-[cyclobutyl(3-hydroxypropyl)amino]-2,2-dimethylpropanoate
SMILESCOC(=O)C(C)(C)CN(CCCO)C1CCC1
InChIInChI=1S/C13H25NO3/c1-13(2,12(16)17-3)10-14(8-5-9-15)11-6-4-7-11/h11,15H,4-10H2,1-3H3
InChIKeyCLQJOMWTQAHXAG-UHFFFAOYSA-N
XLogP1.42
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[3-(tert-butylamino)-2,2-dimethylpropyl]-cyclobutylamino]propan-1-ol
CID 102870871
methyl 3-[2-cyclobutylethyl(methyl)amino]-2,2-dimethylpropanoate
CID 115233730
methyl 2-[cyclopentyl(6-hydroxyhexyl)amino]acetate
CID 103768668
3-[cyclobutyl(4-methoxybutyl)amino]propan-1-ol
CID 102848821
3-[cyclobutyl-[2,2-dimethyl-3-(2-methylpropylamino)propyl]amino]propan-1-ol
CID 102870752
4-[cyclobutyl(3-hydroxypropyl)amino]butan-1-ol
CID 102848477
3-[cycloheptyl(3-hydroxypropyl)amino]propanoic acid
CID 82330129
2-[cyclobutyl(3-hydroxypropyl)amino]-N-(3-methoxypropyl)acetamide
CID 102848725
N-(cyanomethyl)-2-[cyclobutyl(3-hydroxypropyl)amino]acetamide
CID 102848492
methyl 2-[cyclobutyl(2-hydroxyethyl)amino]acetate
CID 102677162
tert-butyl N-cyclobutyl-N-(3-hydroxypropyl)carbamate
CID 22397314
3-[cyclobutyl-[2-ethyl-2-[(propan-2-ylamino)methyl]butyl]amino]propan-1-ol
CID 102870774

Frequently Asked Questions

What is the IUPAC name of methyl 3-[cyclobutyl(3-hydroxypropyl)amino]-2,2-dimethylpropanoate?
The IUPAC name of methyl 3-[cyclobutyl(3-hydroxypropyl)amino]-2,2-dimethylpropanoate (CID 102858467) is methyl 3-[cyclobutyl(3-hydroxypropyl)amino]-2,2-dimethylpropanoate.
What is the SMILES notation for methyl 3-[cyclobutyl(3-hydroxypropyl)amino]-2,2-dimethylpropanoate?
The canonical SMILES for methyl 3-[cyclobutyl(3-hydroxypropyl)amino]-2,2-dimethylpropanoate is COC(=O)C(C)(C)CN(CCCO)C1CCC1.
What is the InChIKey of methyl 3-[cyclobutyl(3-hydroxypropyl)amino]-2,2-dimethylpropanoate?
The InChIKey is CLQJOMWTQAHXAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-13(2,12(16)17-3)10-14(8-5-9-15)11-6-4-7-11/h11,15H,4-10H2,1-3H3.
What are the key properties of methyl 3-[cyclobutyl(3-hydroxypropyl)amino]-2,2-dimethylpropanoate?
methyl 3-[cyclobutyl(3-hydroxypropyl)amino]-2,2-dimethylpropanoate has a molecular weight of 243.35 g/mol, XLogP of 1.42, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[cyclobutyl(3-hydroxypropyl)amino]-2,2-dimethylpropanoate is sourced from PubChem (CID 102858467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).