methyl 3-[2-hydroxyethyl(propan-2-yl)amino]-2-methylpropanoate

C10H21NO3 — CID 60648030

IUPACmethyl 3-[2-hydroxyethyl(propan-2-yl)amino]-2-methylpropanoate
SMILESCOC(=O)C(C)CN(CCO)C(C)C
InChIInChI=1S/C10H21NO3/c1-8(2)11(5-6-12)7-9(3)10(13)14-4/h8-9,12H,5-7H2,1-4H3
InChIKeyRSHFJHPQQTYPSF-UHFFFAOYSA-N
MW203.28 g/mol
LogP0.50
Rot. Bonds6

About methyl 3-[2-hydroxyethyl(propan-2-yl)amino]-2-methylpropanoate

methyl 3-[2-hydroxyethyl(propan-2-yl)amino]-2-methylpropanoate (PubChem CID 60648030) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is methyl 3-[2-hydroxyethyl(propan-2-yl)amino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 3-[2-hydroxyethyl(propan-2-yl)amino]-2-methylpropanoate
PubChem CID60648030
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Namemethyl 3-[2-hydroxyethyl(propan-2-yl)amino]-2-methylpropanoate
SMILESCOC(=O)C(C)CN(CCO)C(C)C
InChIInChI=1S/C10H21NO3/c1-8(2)11(5-6-12)7-9(3)10(13)14-4/h8-9,12H,5-7H2,1-4H3
InChIKeyRSHFJHPQQTYPSF-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-[(2-ethoxy-2-oxoethyl)-propan-2-ylamino]-2-methylpropanoate
CID 62027008
methyl (2S)-3-(dipropylamino)-2-methylpropanoate
CID 92938899
methyl 3-(dipropylamino)-2-methylpropanoate
CID 3015534
methyl 3-[ethyl(2-hydroxyethyl)amino]-2-methylbutanoate
CID 79407611
methyl 3-[1-hydroxypropan-2-yl(methyl)amino]-2-methylpropanoate
CID 104552508
methyl 3-[bis(2-methoxyethyl)amino]-2-methylpropanoate
CID 60649296
ethyl 3-[(2-methoxy-2-oxoethyl)-propan-2-ylamino]-2-methylpropanoate
CID 62026064
3-hydroxy-4-[2-hydroxyethyl(propan-2-yl)amino]butanoic acid
CID 82770170
1-[2-hydroxyethyl(propan-2-yl)amino]-3-methoxypropan-2-one
CID 107507348
3-[2-hydroxyethyl(pentan-3-yl)amino]-2-methylpropanehydrazide
CID 63585174
methyl 2-methyl-3-[methyl(4-methylpentyl)amino]propanoate
CID 83160882
methyl 3-[formyl(methyl)amino]-2-methylpropanoate
CID 64992660

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-hydroxyethyl(propan-2-yl)amino]-2-methylpropanoate?
The IUPAC name of methyl 3-[2-hydroxyethyl(propan-2-yl)amino]-2-methylpropanoate (CID 60648030) is methyl 3-[2-hydroxyethyl(propan-2-yl)amino]-2-methylpropanoate.
What is the SMILES notation for methyl 3-[2-hydroxyethyl(propan-2-yl)amino]-2-methylpropanoate?
The canonical SMILES for methyl 3-[2-hydroxyethyl(propan-2-yl)amino]-2-methylpropanoate is COC(=O)C(C)CN(CCO)C(C)C.
What is the InChIKey of methyl 3-[2-hydroxyethyl(propan-2-yl)amino]-2-methylpropanoate?
The InChIKey is RSHFJHPQQTYPSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3/c1-8(2)11(5-6-12)7-9(3)10(13)14-4/h8-9,12H,5-7H2,1-4H3.
What are the key properties of methyl 3-[2-hydroxyethyl(propan-2-yl)amino]-2-methylpropanoate?
methyl 3-[2-hydroxyethyl(propan-2-yl)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 methyl 3-[2-hydroxyethyl(propan-2-yl)amino]-2-methylpropanoate is sourced from PubChem (CID 60648030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).