ethyl 2-(2-hydroxyethylamino)-2-methylpropanoate

C8H17NO3 — CID 82358602

IUPACethyl 2-(2-hydroxyethylamino)-2-methylpropanoate
SMILESCCOC(=O)C(C)(C)NCCO
InChIInChI=1S/C8H17NO3/c1-4-12-7(11)8(2,3)9-5-6-10/h9-10H,4-6H2,1-3H3
InChIKeyBQSINFQYVFFJNS-UHFFFAOYSA-N
MW175.23 g/mol
LogP-0.09
Rot. Bonds5

About ethyl 2-(2-hydroxyethylamino)-2-methylpropanoate

ethyl 2-(2-hydroxyethylamino)-2-methylpropanoate (PubChem CID 82358602) has the molecular formula C8H17NO3 and a molecular weight of 175.23 g/mol. Its IUPAC name is ethyl 2-(2-hydroxyethylamino)-2-methylpropanoate.

Molecular Properties

Compound Nameethyl 2-(2-hydroxyethylamino)-2-methylpropanoate
PubChem CID82358602
Molecular FormulaC8H17NO3
Molecular Weight175.23 g/mol
Exact Mass175.12
IUPAC Nameethyl 2-(2-hydroxyethylamino)-2-methylpropanoate
SMILESCCOC(=O)C(C)(C)NCCO
InChIInChI=1S/C8H17NO3/c1-4-12-7(11)8(2,3)9-5-6-10/h9-10H,4-6H2,1-3H3
InChIKeyBQSINFQYVFFJNS-UHFFFAOYSA-N
XLogP-0.09
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(4,4-dimethylpentylamino)-2-methylpropanoate
CID 87560965
ethyl 2-methyl-2-[2-(1-methylpiperidin-4-yl)ethylamino]propanoate
CID 115128909
[(1-ethoxy-2-methyl-1-oxopropan-2-yl)amino]-methyl-oxophosphanium
CID 159384567
ethyl 2-[2-(3-bromophenyl)ethylamino]-2-methylpropanoate
CID 115128898
ethyl 2,2-dimethylpropanoate;hydrochloride
CID 141019550
ethyl 2-[(3-amino-2-methylbutanoyl)amino]-2-methylpropanoate;hydrochloride
CID 120500337
ethyl 3-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]propanoate
CID 61218283
ethyl 2-methyl-2-(propylamino)pentanoate
CID 60796647
ethane;ethyl 2-bromo-2-methylpropanoate
CID 142239978
diethyl 2,2-ditert-butylpropanedioate
CID 141391919
ethyl 2,2-bis(sulfanyl)propanoate
CID 88516276
ethyl 6-hydroxy-2,2-dimethylhexanoate
CID 57424988

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-hydroxyethylamino)-2-methylpropanoate?
The IUPAC name of ethyl 2-(2-hydroxyethylamino)-2-methylpropanoate (CID 82358602) is ethyl 2-(2-hydroxyethylamino)-2-methylpropanoate.
What is the SMILES notation for ethyl 2-(2-hydroxyethylamino)-2-methylpropanoate?
The canonical SMILES for ethyl 2-(2-hydroxyethylamino)-2-methylpropanoate is CCOC(=O)C(C)(C)NCCO.
What is the InChIKey of ethyl 2-(2-hydroxyethylamino)-2-methylpropanoate?
The InChIKey is BQSINFQYVFFJNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3/c1-4-12-7(11)8(2,3)9-5-6-10/h9-10H,4-6H2,1-3H3.
What are the key properties of ethyl 2-(2-hydroxyethylamino)-2-methylpropanoate?
ethyl 2-(2-hydroxyethylamino)-2-methylpropanoate has a molecular weight of 175.23 g/mol, XLogP of -0.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-hydroxyethylamino)-2-methylpropanoate is sourced from PubChem (CID 82358602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).