ethyl 3-[1-hydroxypropan-2-yl(methyl)amino]-2-methylpropanoate

C10H21NO3 — CID 104552494

IUPACethyl 3-[1-hydroxypropan-2-yl(methyl)amino]-2-methylpropanoate
SMILESCCOC(=O)C(C)CN(C)C(C)CO
InChIInChI=1S/C10H21NO3/c1-5-14-10(13)8(2)6-11(4)9(3)7-12/h8-9,12H,5-7H2,1-4H3
InChIKeyJJDXTBPOJSNRJI-UHFFFAOYSA-N
MW203.28 g/mol
LogP0.50
Rot. Bonds6

About ethyl 3-[1-hydroxypropan-2-yl(methyl)amino]-2-methylpropanoate

ethyl 3-[1-hydroxypropan-2-yl(methyl)amino]-2-methylpropanoate (PubChem CID 104552494) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is ethyl 3-[1-hydroxypropan-2-yl(methyl)amino]-2-methylpropanoate.

Molecular Properties

Compound Nameethyl 3-[1-hydroxypropan-2-yl(methyl)amino]-2-methylpropanoate
PubChem CID104552494
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Nameethyl 3-[1-hydroxypropan-2-yl(methyl)amino]-2-methylpropanoate
SMILESCCOC(=O)C(C)CN(C)C(C)CO
InChIInChI=1S/C10H21NO3/c1-5-14-10(13)8(2)6-11(4)9(3)7-12/h8-9,12H,5-7H2,1-4H3
InChIKeyJJDXTBPOJSNRJI-UHFFFAOYSA-N
XLogP0.50
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[1-hydroxypropan-2-yl(methyl)amino]-2-methylpropanoate
CID 104552508
3-[1-hydroxypropan-2-yl(methyl)amino]-2-methylpropanehydrazide
CID 104556549
ethyl 3-[bis(2-amino-2-oxoethyl)amino]-2-methylpropanoate
CID 62922969
ethyl (E)-4-[1-hydroxypropan-2-yl(methyl)amino]but-2-enoate
CID 104552556
ethyl 2-methyl-3-[2-methylpropyl(pentan-3-yl)amino]propanoate
CID 79483065
ethane;ethyl 2-methylbutanoate
CID 144747106
ethyl 2-[2-[1-hydroxypropan-2-yl(methyl)amino]ethoxy]acetate
CID 104552544
ethyl 3-(ethoxyamino)-2-methylpropanoate
CID 64974924
CID 89060665
CID 89060665
ethyl (2S)-3-bromo-2-methylpropanoate
CID 12730420
2-[1-hydroxypropan-2-yl(methyl)amino]-N,N-dipropylacetamide
CID 115772259
diethyl (2S,3S)-2,3-bis(hydroxymethyl)butanedioate
CID 134885080

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[1-hydroxypropan-2-yl(methyl)amino]-2-methylpropanoate?
The IUPAC name of ethyl 3-[1-hydroxypropan-2-yl(methyl)amino]-2-methylpropanoate (CID 104552494) is ethyl 3-[1-hydroxypropan-2-yl(methyl)amino]-2-methylpropanoate.
What is the SMILES notation for ethyl 3-[1-hydroxypropan-2-yl(methyl)amino]-2-methylpropanoate?
The canonical SMILES for ethyl 3-[1-hydroxypropan-2-yl(methyl)amino]-2-methylpropanoate is CCOC(=O)C(C)CN(C)C(C)CO.
What is the InChIKey of ethyl 3-[1-hydroxypropan-2-yl(methyl)amino]-2-methylpropanoate?
The InChIKey is JJDXTBPOJSNRJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3/c1-5-14-10(13)8(2)6-11(4)9(3)7-12/h8-9,12H,5-7H2,1-4H3.
What are the key properties of ethyl 3-[1-hydroxypropan-2-yl(methyl)amino]-2-methylpropanoate?
ethyl 3-[1-hydroxypropan-2-yl(methyl)amino]-2-methylpropanoate has a molecular weight of 203.28 g/mol, XLogP of 0.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[1-hydroxypropan-2-yl(methyl)amino]-2-methylpropanoate is sourced from PubChem (CID 104552494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).