methyl 2-[(2,3-dihydroxy-2-methylpropyl)amino]hexanoate

C11H23NO4 — CID 103255975

IUPACmethyl 2-[(2,3-dihydroxy-2-methylpropyl)amino]hexanoate
SMILESCCCCC(NCC(C)(O)CO)C(=O)OC
InChIInChI=1S/C11H23NO4/c1-4-5-6-9(10(14)16-3)12-7-11(2,15)8-13/h9,12-13,15H,4-8H2,1-3H3
InChIKeyOIVYLQSIMZTDHF-UHFFFAOYSA-N
MW233.31 g/mol
LogP0.05
Rot. Bonds8

About methyl 2-[(2,3-dihydroxy-2-methylpropyl)amino]hexanoate

methyl 2-[(2,3-dihydroxy-2-methylpropyl)amino]hexanoate (PubChem CID 103255975) has the molecular formula C11H23NO4 and a molecular weight of 233.31 g/mol. Its IUPAC name is methyl 2-[(2,3-dihydroxy-2-methylpropyl)amino]hexanoate.

Molecular Properties

Compound Namemethyl 2-[(2,3-dihydroxy-2-methylpropyl)amino]hexanoate
PubChem CID103255975
Molecular FormulaC11H23NO4
Molecular Weight233.31 g/mol
Exact Mass233.16
IUPAC Namemethyl 2-[(2,3-dihydroxy-2-methylpropyl)amino]hexanoate
SMILESCCCCC(NCC(C)(O)CO)C(=O)OC
InChIInChI=1S/C11H23NO4/c1-4-5-6-9(10(14)16-3)12-7-11(2,15)8-13/h9,12-13,15H,4-8H2,1-3H3
InChIKeyOIVYLQSIMZTDHF-UHFFFAOYSA-N
XLogP0.05
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 50.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]hexanoate
CID 106248338
methyl 2-[(5-hydroxy-2,2-dimethylpentyl)amino]hexanoate
CID 106149126
methyl 2-(2,2,3,3-tetrafluoropropylamino)hexanoate
CID 106294368
methyl 2-(3,3-dimethylbutylamino)hexanoate
CID 102673049
methyl 2-(but-2-ynylamino)hexanoate
CID 103868535
methyl 2-[(4-hydroxy-2-methylbutyl)amino]hexanoate
CID 103256143
methyl 2-(2-bromoprop-2-enylamino)hexanoate
CID 103264452
methyl 2-(prop-2-enylamino)hexanoate
CID 62353105
methyl 2-[(4-amino-4-oxobutyl)amino]hexanoate
CID 103868400
methyl 2-[(2-methylcyclopropyl)methylamino]hexanoate
CID 103096963
methyl 2-[2-(2-hydroxyethyl)pentylamino]hexanoate
CID 106115807
methyl 2-(propylamino)octanoate
CID 60795997

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2,3-dihydroxy-2-methylpropyl)amino]hexanoate?
The IUPAC name of methyl 2-[(2,3-dihydroxy-2-methylpropyl)amino]hexanoate (CID 103255975) is methyl 2-[(2,3-dihydroxy-2-methylpropyl)amino]hexanoate.
What is the SMILES notation for methyl 2-[(2,3-dihydroxy-2-methylpropyl)amino]hexanoate?
The canonical SMILES for methyl 2-[(2,3-dihydroxy-2-methylpropyl)amino]hexanoate is CCCCC(NCC(C)(O)CO)C(=O)OC.
What is the InChIKey of methyl 2-[(2,3-dihydroxy-2-methylpropyl)amino]hexanoate?
The InChIKey is OIVYLQSIMZTDHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO4/c1-4-5-6-9(10(14)16-3)12-7-11(2,15)8-13/h9,12-13,15H,4-8H2,1-3H3.
What are the key properties of methyl 2-[(2,3-dihydroxy-2-methylpropyl)amino]hexanoate?
methyl 2-[(2,3-dihydroxy-2-methylpropyl)amino]hexanoate has a molecular weight of 233.31 g/mol, XLogP of 0.05, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2,3-dihydroxy-2-methylpropyl)amino]hexanoate is sourced from PubChem (CID 103255975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).