[2-hydroxy-3-(methylamino)propyl] 2-methylbutanoate

C9H19NO3 — CID 134215870

IUPAC[2-hydroxy-3-(methylamino)propyl] 2-methylbutanoate
SMILESCCC(C)C(=O)OCC(O)CNC
InChIInChI=1S/C9H19NO3/c1-4-7(2)9(12)13-6-8(11)5-10-3/h7-8,10-11H,4-6H2,1-3H3
InChIKeyVLCNRSHOVPVXEG-UHFFFAOYSA-N
MW189.25 g/mol
LogP0.16
Rot. Bonds6

About [2-hydroxy-3-(methylamino)propyl] 2-methylbutanoate

[2-hydroxy-3-(methylamino)propyl] 2-methylbutanoate (PubChem CID 134215870) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is [2-hydroxy-3-(methylamino)propyl] 2-methylbutanoate.

Molecular Properties

Compound Name[2-hydroxy-3-(methylamino)propyl] 2-methylbutanoate
PubChem CID134215870
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC Name[2-hydroxy-3-(methylamino)propyl] 2-methylbutanoate
SMILESCCC(C)C(=O)OCC(O)CNC
InChIInChI=1S/C9H19NO3/c1-4-7(2)9(12)13-6-8(11)5-10-3/h7-8,10-11H,4-6H2,1-3H3
InChIKeyVLCNRSHOVPVXEG-UHFFFAOYSA-N
XLogP0.16
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-hydroxy-3-[2-hydroxy-3-[2-hydroxy-3-(2-methylbutanoyloxy)propoxy]propoxy]propyl] 2-methylbutanoate
CID 131979537
(2-hydroxy-4-methoxy-4-oxobutyl) 2-methylbutanoate
CID 134215716
(2-hydroxy-3-propanoyloxypropyl) 2-methylbutanoate
CID 91017157
sodium 2-hydroxy-3-(2-methylbutanoyloxy)propane-1-sulfonate
CID 162453586
[2-hydroxy-3-(iodoamino)propyl] 2-ethyl-3-methylbutanoate
CID 146745854
[2-hydroxy-3-(3-iodoanilino)propyl] 2-methylbutanoate
CID 59017798
2-(2-methylbutanoyloxy)propyl 2-methylbutanoate
CID 57009973
2-methylbutanoyloxymethyl 2-methylbutanoate
CID 20789926
1-aminooxy-3-(methylamino)propan-2-ol;dihydrochloride
CID 19807381
2-(2-methylpropoxy)propyl 2-methylbutanoate
CID 174484897
2-propylpentyl 2-methylbutanoate
CID 155014190
2-[2-[2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propyl 2-methylbutanoate
CID 58444916

Frequently Asked Questions

What is the IUPAC name of [2-hydroxy-3-(methylamino)propyl] 2-methylbutanoate?
The IUPAC name of [2-hydroxy-3-(methylamino)propyl] 2-methylbutanoate (CID 134215870) is [2-hydroxy-3-(methylamino)propyl] 2-methylbutanoate.
What is the SMILES notation for [2-hydroxy-3-(methylamino)propyl] 2-methylbutanoate?
The canonical SMILES for [2-hydroxy-3-(methylamino)propyl] 2-methylbutanoate is CCC(C)C(=O)OCC(O)CNC.
What is the InChIKey of [2-hydroxy-3-(methylamino)propyl] 2-methylbutanoate?
The InChIKey is VLCNRSHOVPVXEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3/c1-4-7(2)9(12)13-6-8(11)5-10-3/h7-8,10-11H,4-6H2,1-3H3.
What are the key properties of [2-hydroxy-3-(methylamino)propyl] 2-methylbutanoate?
[2-hydroxy-3-(methylamino)propyl] 2-methylbutanoate has a molecular weight of 189.25 g/mol, XLogP of 0.16, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-hydroxy-3-(methylamino)propyl] 2-methylbutanoate is sourced from PubChem (CID 134215870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).