methyl 3-(1-hydroxypropan-2-ylamino)-2,2-dimethylpropanoate

C9H19NO3 — CID 79623523

IUPACmethyl 3-(1-hydroxypropan-2-ylamino)-2,2-dimethylpropanoate
SMILESCOC(=O)C(C)(C)CNC(C)CO
InChIInChI=1S/C9H19NO3/c1-7(5-11)10-6-9(2,3)8(12)13-4/h7,10-11H,5-6H2,1-4H3
InChIKeyIPLUFBCOJAMVBO-UHFFFAOYSA-N
MW189.25 g/mol
LogP0.16
Rot. Bonds5

About methyl 3-(1-hydroxypropan-2-ylamino)-2,2-dimethylpropanoate

methyl 3-(1-hydroxypropan-2-ylamino)-2,2-dimethylpropanoate (PubChem CID 79623523) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is methyl 3-(1-hydroxypropan-2-ylamino)-2,2-dimethylpropanoate.

Molecular Properties

Compound Namemethyl 3-(1-hydroxypropan-2-ylamino)-2,2-dimethylpropanoate
PubChem CID79623523
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC Namemethyl 3-(1-hydroxypropan-2-ylamino)-2,2-dimethylpropanoate
SMILESCOC(=O)C(C)(C)CNC(C)CO
InChIInChI=1S/C9H19NO3/c1-7(5-11)10-6-9(2,3)8(12)13-4/h7,10-11H,5-6H2,1-4H3
InChIKeyIPLUFBCOJAMVBO-UHFFFAOYSA-N
XLogP0.16
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
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

methyl 2,2-dimethyl-3-(5-methylhexan-2-ylamino)propanoate
CID 79624794
methyl 3-(heptan-2-ylamino)-2,2-dimethylpropanoate
CID 79623539
methyl 3-[(3-hydroxy-2-methylpropyl)amino]-2,2-dimethylpropanoate
CID 79624700
methyl 3-[(1-methoxy-3-methylbutan-2-yl)amino]-2,2-dimethylpropanoate
CID 79624902
methyl 2-hydroxy-3-(4-hydroxybutan-2-ylamino)-2-methylpropanoate
CID 104644967
methyl 2,2-dimethylpropanoate;2-methylpropan-1-ol
CID 87522003
methyl 2,2-dimethyl-3-(2,3,3-trimethylbutylamino)propanoate
CID 83143662
methyl 3-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-2,2-dimethylpropanoate
CID 81348035
methyl 2-hydroxy-3-(5-hydroxypentan-2-ylamino)-2-methylpropanoate
CID 104644757
methyl 2-hydroxy-3-(1-methoxypropan-2-ylamino)-2-methylpropanoate
CID 104643639
methyl 2-hydroxy-2-methyl-3-(pentan-2-ylamino)propanoate
CID 104643624
1-(1-hydroxypropan-2-ylamino)-2-methylbutan-2-ol
CID 114492806

Frequently Asked Questions

What is the IUPAC name of methyl 3-(1-hydroxypropan-2-ylamino)-2,2-dimethylpropanoate?
The IUPAC name of methyl 3-(1-hydroxypropan-2-ylamino)-2,2-dimethylpropanoate (CID 79623523) is methyl 3-(1-hydroxypropan-2-ylamino)-2,2-dimethylpropanoate.
What is the SMILES notation for methyl 3-(1-hydroxypropan-2-ylamino)-2,2-dimethylpropanoate?
The canonical SMILES for methyl 3-(1-hydroxypropan-2-ylamino)-2,2-dimethylpropanoate is COC(=O)C(C)(C)CNC(C)CO.
What is the InChIKey of methyl 3-(1-hydroxypropan-2-ylamino)-2,2-dimethylpropanoate?
The InChIKey is IPLUFBCOJAMVBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3/c1-7(5-11)10-6-9(2,3)8(12)13-4/h7,10-11H,5-6H2,1-4H3.
What are the key properties of methyl 3-(1-hydroxypropan-2-ylamino)-2,2-dimethylpropanoate?
methyl 3-(1-hydroxypropan-2-ylamino)-2,2-dimethylpropanoate has a molecular weight of 189.25 g/mol, XLogP of 0.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(1-hydroxypropan-2-ylamino)-2,2-dimethylpropanoate is sourced from PubChem (CID 79623523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).