methyl 3-[(3-hydroxy-2-methylpropyl)amino]-2-methylbutanoate

C10H21NO3 — CID 79397828

IUPACmethyl 3-[(3-hydroxy-2-methylpropyl)amino]-2-methylbutanoate
SMILESCOC(=O)C(C)C(C)NCC(C)CO
InChIInChI=1S/C10H21NO3/c1-7(6-12)5-11-9(3)8(2)10(13)14-4/h7-9,11-12H,5-6H2,1-4H3
InChIKeyJSEGIYQXTRGIKQ-UHFFFAOYSA-N
MW203.28 g/mol
LogP0.40
Rot. Bonds6

About methyl 3-[(3-hydroxy-2-methylpropyl)amino]-2-methylbutanoate

methyl 3-[(3-hydroxy-2-methylpropyl)amino]-2-methylbutanoate (PubChem CID 79397828) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is methyl 3-[(3-hydroxy-2-methylpropyl)amino]-2-methylbutanoate.

Molecular Properties

Compound Namemethyl 3-[(3-hydroxy-2-methylpropyl)amino]-2-methylbutanoate
PubChem CID79397828
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Namemethyl 3-[(3-hydroxy-2-methylpropyl)amino]-2-methylbutanoate
SMILESCOC(=O)C(C)C(C)NCC(C)CO
InChIInChI=1S/C10H21NO3/c1-7(6-12)5-11-9(3)8(2)10(13)14-4/h7-9,11-12H,5-6H2,1-4H3
InChIKeyJSEGIYQXTRGIKQ-UHFFFAOYSA-N
XLogP0.40
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-hydroxy-2-methylpropyl)amino]-2-methylbutanoic acid
CID 79397684
methyl 3-[2-(dimethylamino)propylamino]-2-methylbutanoate
CID 79397662
methyl 3-[3-(2-hydroxyethoxy)propylamino]-2-methylbutanoate
CID 106305528
methyl 2-methyl-3-(octylamino)butanoate
CID 115567614
methyl 3-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-2-methylbutanoate
CID 106276355
2-[(3-hydroxy-2-methylpropyl)amino]-3-methoxypropanoic acid
CID 103253859
2-methyl-3-(propan-2-ylamino)propan-1-ol
CID 20806708
methyl 3-[(5-hydroxy-2,2-dimethylpentyl)amino]-2-methylbutanoate
CID 106147126
methyl (2S)-2-amino-3-hydroxypropanoate
CID 2723731
3-(1-hydroxyethylamino)-2-methylpropan-1-ol
CID 57165615
methyl 3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-2-methylbutanoate
CID 114188531
methyl 3-[(2-hydroxy-2,4-dimethylpentyl)amino]-2-methylbutanoate
CID 79397549

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(3-hydroxy-2-methylpropyl)amino]-2-methylbutanoate?
The IUPAC name of methyl 3-[(3-hydroxy-2-methylpropyl)amino]-2-methylbutanoate (CID 79397828) is methyl 3-[(3-hydroxy-2-methylpropyl)amino]-2-methylbutanoate.
What is the SMILES notation for methyl 3-[(3-hydroxy-2-methylpropyl)amino]-2-methylbutanoate?
The canonical SMILES for methyl 3-[(3-hydroxy-2-methylpropyl)amino]-2-methylbutanoate is COC(=O)C(C)C(C)NCC(C)CO.
What is the InChIKey of methyl 3-[(3-hydroxy-2-methylpropyl)amino]-2-methylbutanoate?
The InChIKey is JSEGIYQXTRGIKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3/c1-7(6-12)5-11-9(3)8(2)10(13)14-4/h7-9,11-12H,5-6H2,1-4H3.
What are the key properties of methyl 3-[(3-hydroxy-2-methylpropyl)amino]-2-methylbutanoate?
methyl 3-[(3-hydroxy-2-methylpropyl)amino]-2-methylbutanoate has a molecular weight of 203.28 g/mol, XLogP of 0.40, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(3-hydroxy-2-methylpropyl)amino]-2-methylbutanoate is sourced from PubChem (CID 79397828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).