methyl 3-[(3-hydroxy-2-methylpropyl)amino]-2,2-dimethylpropanoate

C10H21NO3 — CID 79624700

IUPACmethyl 3-[(3-hydroxy-2-methylpropyl)amino]-2,2-dimethylpropanoate
SMILESCOC(=O)C(C)(C)CNCC(C)CO
InChIInChI=1S/C10H21NO3/c1-8(6-12)5-11-7-10(2,3)9(13)14-4/h8,11-12H,5-7H2,1-4H3
InChIKeyKGXQJOVLRLWDIM-UHFFFAOYSA-N
MW203.28 g/mol
LogP0.40
Rot. Bonds6

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

methyl 3-[(3-hydroxy-2-methylpropyl)amino]-2,2-dimethylpropanoate (PubChem CID 79624700) 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]-2,2-dimethylpropanoate.

Molecular Properties

Compound Namemethyl 3-[(3-hydroxy-2-methylpropyl)amino]-2,2-dimethylpropanoate
PubChem CID79624700
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Namemethyl 3-[(3-hydroxy-2-methylpropyl)amino]-2,2-dimethylpropanoate
SMILESCOC(=O)C(C)(C)CNCC(C)CO
InChIInChI=1S/C10H21NO3/c1-8(6-12)5-11-7-10(2,3)9(13)14-4/h8,11-12H,5-7H2,1-4H3
InChIKeyKGXQJOVLRLWDIM-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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Frequently Asked Questions

What is the IUPAC name of methyl 3-[(3-hydroxy-2-methylpropyl)amino]-2,2-dimethylpropanoate?
The IUPAC name of methyl 3-[(3-hydroxy-2-methylpropyl)amino]-2,2-dimethylpropanoate (CID 79624700) is methyl 3-[(3-hydroxy-2-methylpropyl)amino]-2,2-dimethylpropanoate.
What is the SMILES notation for methyl 3-[(3-hydroxy-2-methylpropyl)amino]-2,2-dimethylpropanoate?
The canonical SMILES for methyl 3-[(3-hydroxy-2-methylpropyl)amino]-2,2-dimethylpropanoate is COC(=O)C(C)(C)CNCC(C)CO.
What is the InChIKey of methyl 3-[(3-hydroxy-2-methylpropyl)amino]-2,2-dimethylpropanoate?
The InChIKey is KGXQJOVLRLWDIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3/c1-8(6-12)5-11-7-10(2,3)9(13)14-4/h8,11-12H,5-7H2,1-4H3.
What are the key properties of methyl 3-[(3-hydroxy-2-methylpropyl)amino]-2,2-dimethylpropanoate?
methyl 3-[(3-hydroxy-2-methylpropyl)amino]-2,2-dimethylpropanoate 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]-2,2-dimethylpropanoate is sourced from PubChem (CID 79624700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).