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

C13H25NO3 — CID 102863957

IUPACmethyl 2-[cyclobutyl(2-hydroxyethyl)amino]hexanoate
SMILESCCCCC(C(=O)OC)N(CCO)C1CCC1
InChIInChI=1S/C13H25NO3/c1-3-4-8-12(13(16)17-2)14(9-10-15)11-6-5-7-11/h11-12,15H,3-10H2,1-2H3
InChIKeyMQIQJZBXMRPERM-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.57
Rot. Bonds8

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

methyl 2-[cyclobutyl(2-hydroxyethyl)amino]hexanoate (PubChem CID 102863957) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is methyl 2-[cyclobutyl(2-hydroxyethyl)amino]hexanoate.

Molecular Properties

Compound Namemethyl 2-[cyclobutyl(2-hydroxyethyl)amino]hexanoate
PubChem CID102863957
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Namemethyl 2-[cyclobutyl(2-hydroxyethyl)amino]hexanoate
SMILESCCCCC(C(=O)OC)N(CCO)C1CCC1
InChIInChI=1S/C13H25NO3/c1-3-4-8-12(13(16)17-2)14(9-10-15)11-6-5-7-11/h11-12,15H,3-10H2,1-2H3
InChIKeyMQIQJZBXMRPERM-UHFFFAOYSA-N
XLogP1.57
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cyclopropyl(2-hydroxyethyl)amino]pentanehydrazide
CID 83047676
2-[cyclopentyl(2-hydroxyethyl)amino]-N-pentylpropanamide
CID 62016618
ethyl 2-[cyclopentyl(3-methylbutyl)amino]pentanoate
CID 83049195
2-[cyclobutyl(3-hydroxypropyl)amino]butanehydrazide
CID 102873674
2-[cyclohexyl(pentan-2-yl)amino]ethanol
CID 107886016
methyl 2-[acetyl(methyl)amino]hexanoate
CID 23279435
(2S)-2-amino-N-cyclopropyl-N-(2-hydroxyethyl)hexanamide
CID 103951026
methyl 3-cyclohexyl-2-[hexyl(propyl)amino]propanoate
CID 145242939
4-[cyclopentyl(2-hydroxyethyl)amino]pentan-2-one
CID 64696261
2-[cyclobutyl(3-hydroxypropyl)amino]-N-pentylpropanamide
CID 102858511
3-[cyclobutyl(2-hydroxyethyl)amino]-2-methylbutanehydrazide
CID 102873737
2-[cyclopropyl(2-hydroxyethyl)amino]-N-pentan-2-ylpropanamide
CID 62021160

Frequently Asked Questions

What is the IUPAC name of methyl 2-[cyclobutyl(2-hydroxyethyl)amino]hexanoate?
The IUPAC name of methyl 2-[cyclobutyl(2-hydroxyethyl)amino]hexanoate (CID 102863957) is methyl 2-[cyclobutyl(2-hydroxyethyl)amino]hexanoate.
What is the SMILES notation for methyl 2-[cyclobutyl(2-hydroxyethyl)amino]hexanoate?
The canonical SMILES for methyl 2-[cyclobutyl(2-hydroxyethyl)amino]hexanoate is CCCCC(C(=O)OC)N(CCO)C1CCC1.
What is the InChIKey of methyl 2-[cyclobutyl(2-hydroxyethyl)amino]hexanoate?
The InChIKey is MQIQJZBXMRPERM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-3-4-8-12(13(16)17-2)14(9-10-15)11-6-5-7-11/h11-12,15H,3-10H2,1-2H3.
What are the key properties of methyl 2-[cyclobutyl(2-hydroxyethyl)amino]hexanoate?
methyl 2-[cyclobutyl(2-hydroxyethyl)amino]hexanoate has a molecular weight of 243.35 g/mol, XLogP of 1.57, 8 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]hexanoate is sourced from PubChem (CID 102863957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).