2-[2-hydroxyethyl(methyl)amino]ethyl propanoate

C8H17NO3 — CID 123682095

IUPAC2-[2-hydroxyethyl(methyl)amino]ethyl propanoate
SMILESCCC(=O)OCCN(C)CCO
InChIInChI=1S/C8H17NO3/c1-3-8(11)12-7-5-9(2)4-6-10/h10H,3-7H2,1-2H3
InChIKeyMLWYDWGHJCGGKV-UHFFFAOYSA-N
MW175.23 g/mol
LogP-0.14
Rot. Bonds6

About 2-[2-hydroxyethyl(methyl)amino]ethyl propanoate

2-[2-hydroxyethyl(methyl)amino]ethyl propanoate (PubChem CID 123682095) has the molecular formula C8H17NO3 and a molecular weight of 175.23 g/mol. Its IUPAC name is 2-[2-hydroxyethyl(methyl)amino]ethyl propanoate.

Molecular Properties

Compound Name2-[2-hydroxyethyl(methyl)amino]ethyl propanoate
PubChem CID123682095
Molecular FormulaC8H17NO3
Molecular Weight175.23 g/mol
Exact Mass175.12
IUPAC Name2-[2-hydroxyethyl(methyl)amino]ethyl propanoate
SMILESCCC(=O)OCCN(C)CCO
InChIInChI=1S/C8H17NO3/c1-3-8(11)12-7-5-9(2)4-6-10/h10H,3-7H2,1-2H3
InChIKeyMLWYDWGHJCGGKV-UHFFFAOYSA-N
XLogP-0.14
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-acetyloxyethyl(methyl)amino]ethyl propanoate;ethane
CID 142272476
2-hydroxyethyl 3-(dimethylamino)propanoate
CID 20769160
2-iodoethyl 3-[2-hydroxyethyl(methyl)amino]propanoate
CID 171562584
bis[2-[2-hydroxyethyl(methyl)amino]ethyl] (E)-octadec-9-enedioate
CID 87663821
2-hydroxyethyl propanoate;propanoic acid
CID 175568032
2-(diethylamino)ethyl propanoate;hydrochloride
CID 141390423
2-[ethyl(methyl)amino]ethyl 3-aminopropanoate
CID 89304137
ethoxyethane;2-hydroxyethyl propanoate
CID 87293402
2-[2-hydroxyethyl(methyl)amino]ethanol;propane
CID 142839761
2-[ethyl(iodo)amino]ethyl propanoate
CID 167202757
2-[2-(dimethylamino)ethyl-methylamino]ethyl pentadecanoate
CID 118631053
2-hydroxyethyl propanoate;methane;bis(N-methylpropan-1-amine);3-[methyl(propyl)amino]propanoic acid
CID 158364163

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxyethyl(methyl)amino]ethyl propanoate?
The IUPAC name of 2-[2-hydroxyethyl(methyl)amino]ethyl propanoate (CID 123682095) is 2-[2-hydroxyethyl(methyl)amino]ethyl propanoate.
What is the SMILES notation for 2-[2-hydroxyethyl(methyl)amino]ethyl propanoate?
The canonical SMILES for 2-[2-hydroxyethyl(methyl)amino]ethyl propanoate is CCC(=O)OCCN(C)CCO.
What is the InChIKey of 2-[2-hydroxyethyl(methyl)amino]ethyl propanoate?
The InChIKey is MLWYDWGHJCGGKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3/c1-3-8(11)12-7-5-9(2)4-6-10/h10H,3-7H2,1-2H3.
What are the key properties of 2-[2-hydroxyethyl(methyl)amino]ethyl propanoate?
2-[2-hydroxyethyl(methyl)amino]ethyl propanoate has a molecular weight of 175.23 g/mol, XLogP of -0.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxyethyl(methyl)amino]ethyl propanoate is sourced from PubChem (CID 123682095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).