methyl 2-[5-hydroxypentyl(propan-2-yl)amino]acetate

C11H23NO3 — CID 62227556

IUPACmethyl 2-[5-hydroxypentyl(propan-2-yl)amino]acetate
SMILESCOC(=O)CN(CCCCCO)C(C)C
InChIInChI=1S/C11H23NO3/c1-10(2)12(9-11(14)15-3)7-5-4-6-8-13/h10,13H,4-9H2,1-3H3
InChIKeyTYGJJVLAQQHDQI-UHFFFAOYSA-N
MW217.31 g/mol
LogP1.03
Rot. Bonds8

About methyl 2-[5-hydroxypentyl(propan-2-yl)amino]acetate

methyl 2-[5-hydroxypentyl(propan-2-yl)amino]acetate (PubChem CID 62227556) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is methyl 2-[5-hydroxypentyl(propan-2-yl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[5-hydroxypentyl(propan-2-yl)amino]acetate
PubChem CID62227556
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Namemethyl 2-[5-hydroxypentyl(propan-2-yl)amino]acetate
SMILESCOC(=O)CN(CCCCCO)C(C)C
InChIInChI=1S/C11H23NO3/c1-10(2)12(9-11(14)15-3)7-5-4-6-8-13/h10,13H,4-9H2,1-3H3
InChIKeyTYGJJVLAQQHDQI-UHFFFAOYSA-N
XLogP1.03
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 51.03
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-[3-fluoropropyl(propan-2-yl)amino]acetate
CID 81113798
2-[6-hydroxyhexyl(propan-2-yl)amino]acetic acid
CID 107704478
7-[3-hydroxypropyl(propan-2-yl)amino]heptan-1-ol
CID 178129959
methyl 2-[5-hydroxypentyl(propyl)amino]acetate
CID 55210802
methyl 2-[2-butoxyethyl(propan-2-yl)amino]acetate
CID 55208271
methyl 2-[2,2-dimethoxyethyl(propan-2-yl)amino]acetate
CID 81089731
methyl 2-[cyclopentyl(6-hydroxyhexyl)amino]acetate
CID 103768668
methyl 2-[[3-(methylcarbamoylamino)-3-oxopropyl]-propan-2-ylamino]acetate
CID 62025905
2-[3-hydroxypropyl(propan-2-yl)amino]-N-(2-methylpropyl)acetamide
CID 62022001
methyl 2-[[2-(dipropylamino)-2-oxoethyl]-propan-2-ylamino]acetate
CID 62027203
methyl 2-[[3-(cyclopropylamino)-3-oxopropyl]-propan-2-ylamino]acetate
CID 55090982
methyl 14-hydroxytetradecanoate
CID 13245690

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-hydroxypentyl(propan-2-yl)amino]acetate?
The IUPAC name of methyl 2-[5-hydroxypentyl(propan-2-yl)amino]acetate (CID 62227556) is methyl 2-[5-hydroxypentyl(propan-2-yl)amino]acetate.
What is the SMILES notation for methyl 2-[5-hydroxypentyl(propan-2-yl)amino]acetate?
The canonical SMILES for methyl 2-[5-hydroxypentyl(propan-2-yl)amino]acetate is COC(=O)CN(CCCCCO)C(C)C.
What is the InChIKey of methyl 2-[5-hydroxypentyl(propan-2-yl)amino]acetate?
The InChIKey is TYGJJVLAQQHDQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3/c1-10(2)12(9-11(14)15-3)7-5-4-6-8-13/h10,13H,4-9H2,1-3H3.
What are the key properties of methyl 2-[5-hydroxypentyl(propan-2-yl)amino]acetate?
methyl 2-[5-hydroxypentyl(propan-2-yl)amino]acetate has a molecular weight of 217.31 g/mol, XLogP of 1.03, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-hydroxypentyl(propan-2-yl)amino]acetate is sourced from PubChem (CID 62227556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).