methyl 2-[cyclopentyl(6-hydroxyhexyl)amino]acetate

C14H27NO3 — CID 103768668

IUPACmethyl 2-[cyclopentyl(6-hydroxyhexyl)amino]acetate
SMILESCOC(=O)CN(CCCCCCO)C1CCCC1
InChIInChI=1S/C14H27NO3/c1-18-14(17)12-15(13-8-4-5-9-13)10-6-2-3-7-11-16/h13,16H,2-12H2,1H3
InChIKeySGYWHUOLZATLHW-UHFFFAOYSA-N
MW257.37 g/mol
LogP1.96
Rot. Bonds9

About methyl 2-[cyclopentyl(6-hydroxyhexyl)amino]acetate

methyl 2-[cyclopentyl(6-hydroxyhexyl)amino]acetate (PubChem CID 103768668) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is methyl 2-[cyclopentyl(6-hydroxyhexyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[cyclopentyl(6-hydroxyhexyl)amino]acetate
PubChem CID103768668
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Namemethyl 2-[cyclopentyl(6-hydroxyhexyl)amino]acetate
SMILESCOC(=O)CN(CCCCCCO)C1CCCC1
InChIInChI=1S/C14H27NO3/c1-18-14(17)12-15(13-8-4-5-9-13)10-6-2-3-7-11-16/h13,16H,2-12H2,1H3
InChIKeySGYWHUOLZATLHW-UHFFFAOYSA-N
XLogP1.96
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[cyclobutyl(2-hydroxyethyl)amino]acetate
CID 102677162
methyl 2-[cyclopentyl(pent-4-ynyl)amino]acetate
CID 112548457
methyl 2-[cyclopentyl(4,4,4-trifluorobutyl)amino]acetate
CID 113330874
4-[cyclobutyl(3-hydroxypropyl)amino]butan-1-ol
CID 102848477
6-[cyclopentyl(2-methylpropyl)amino]hexan-1-ol
CID 103737867
2-[cyclobutyl(3-hydroxypropyl)amino]-N-cyclohexyl-N-methylacetamide
CID 102848635
N-(cyanomethyl)-2-[cyclobutyl(3-hydroxypropyl)amino]acetamide
CID 102848492
2-[cyclobutyl(3-hydroxypropyl)amino]-N-(3-methoxypropyl)acetamide
CID 102848725
2-[cyclopentyl(nonyl)amino]acetic acid
CID 60835084
methyl 2-[2-chloroprop-2-enyl(cyclopentyl)amino]acetate
CID 80710177
propan-2-yl 2-[cyclohexyl(2-hydroxyethyl)amino]acetate
CID 60694307
3-[cyclobutyl(4-methoxybutyl)amino]propan-1-ol
CID 102848821

Frequently Asked Questions

What is the IUPAC name of methyl 2-[cyclopentyl(6-hydroxyhexyl)amino]acetate?
The IUPAC name of methyl 2-[cyclopentyl(6-hydroxyhexyl)amino]acetate (CID 103768668) is methyl 2-[cyclopentyl(6-hydroxyhexyl)amino]acetate.
What is the SMILES notation for methyl 2-[cyclopentyl(6-hydroxyhexyl)amino]acetate?
The canonical SMILES for methyl 2-[cyclopentyl(6-hydroxyhexyl)amino]acetate is COC(=O)CN(CCCCCCO)C1CCCC1.
What is the InChIKey of methyl 2-[cyclopentyl(6-hydroxyhexyl)amino]acetate?
The InChIKey is SGYWHUOLZATLHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3/c1-18-14(17)12-15(13-8-4-5-9-13)10-6-2-3-7-11-16/h13,16H,2-12H2,1H3.
What are the key properties of methyl 2-[cyclopentyl(6-hydroxyhexyl)amino]acetate?
methyl 2-[cyclopentyl(6-hydroxyhexyl)amino]acetate has a molecular weight of 257.37 g/mol, XLogP of 1.96, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[cyclopentyl(6-hydroxyhexyl)amino]acetate is sourced from PubChem (CID 103768668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).