methyl 2-[cyclobutyl(2-hydroxyethyl)amino]acetate

C9H17NO3 — CID 102677162

IUPACmethyl 2-[cyclobutyl(2-hydroxyethyl)amino]acetate
SMILESCOC(=O)CN(CCO)C1CCC1
InChIInChI=1S/C9H17NO3/c1-13-9(12)7-10(5-6-11)8-3-2-4-8/h8,11H,2-7H2,1H3
InChIKeySNISHXGCCQQVEN-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.01
Rot. Bonds5

About methyl 2-[cyclobutyl(2-hydroxyethyl)amino]acetate

methyl 2-[cyclobutyl(2-hydroxyethyl)amino]acetate (PubChem CID 102677162) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is methyl 2-[cyclobutyl(2-hydroxyethyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[cyclobutyl(2-hydroxyethyl)amino]acetate
PubChem CID102677162
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Namemethyl 2-[cyclobutyl(2-hydroxyethyl)amino]acetate
SMILESCOC(=O)CN(CCO)C1CCC1
InChIInChI=1S/C9H17NO3/c1-13-9(12)7-10(5-6-11)8-3-2-4-8/h8,11H,2-7H2,1H3
InChIKeySNISHXGCCQQVEN-UHFFFAOYSA-N
XLogP0.01
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[cyclopentyl(6-hydroxyhexyl)amino]acetate
CID 103768668
propan-2-yl 2-[cyclohexyl(2-hydroxyethyl)amino]acetate
CID 60694307
2-[cyclobutyl(2-hydroxyethyl)amino]-N-methylacetamide
CID 102676924
1-[cyclohexyl(2-hydroxyethyl)amino]-3-methoxypropan-2-one
CID 107507311
2-[cyclopentyl(2-hydroxyethyl)amino]-N-(2-methoxyethyl)acetamide
CID 62016627
methyl 2-[cyclopentyl(pent-4-ynyl)amino]acetate
CID 112548457
methyl 2-[cyclopentyl(4,4,4-trifluorobutyl)amino]acetate
CID 113330874
methyl 2-[oxan-4-yl(propyl)amino]acetate
CID 63937297
2-[cyclobutyl(2-hydroxyethyl)amino]-N-cyclohexyl-N-methylacetamide
CID 102676811
1-[cyclohexyl(2-hydroxyethyl)amino]-3-methylbutan-2-one
CID 79395277
methyl 2-[2-chloroprop-2-enyl(cyclopentyl)amino]acetate
CID 80710177
2-[cyclopentyl(2-hydroxyethyl)amino]-N,N-diethylacetamide
CID 62015445

Frequently Asked Questions

What is the IUPAC name of methyl 2-[cyclobutyl(2-hydroxyethyl)amino]acetate?
The IUPAC name of methyl 2-[cyclobutyl(2-hydroxyethyl)amino]acetate (CID 102677162) is methyl 2-[cyclobutyl(2-hydroxyethyl)amino]acetate.
What is the SMILES notation for methyl 2-[cyclobutyl(2-hydroxyethyl)amino]acetate?
The canonical SMILES for methyl 2-[cyclobutyl(2-hydroxyethyl)amino]acetate is COC(=O)CN(CCO)C1CCC1.
What is the InChIKey of methyl 2-[cyclobutyl(2-hydroxyethyl)amino]acetate?
The InChIKey is SNISHXGCCQQVEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-13-9(12)7-10(5-6-11)8-3-2-4-8/h8,11H,2-7H2,1H3.
What are the key properties of methyl 2-[cyclobutyl(2-hydroxyethyl)amino]acetate?
methyl 2-[cyclobutyl(2-hydroxyethyl)amino]acetate has a molecular weight of 187.24 g/mol, XLogP of 0.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[cyclobutyl(2-hydroxyethyl)amino]acetate is sourced from PubChem (CID 102677162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).