methyl 3-[ethyl(2-hydroxypropyl)amino]propanoate

C9H19NO3 — CID 62026208

IUPACmethyl 3-[ethyl(2-hydroxypropyl)amino]propanoate
SMILESCCN(CCC(=O)OC)CC(C)O
InChIInChI=1S/C9H19NO3/c1-4-10(7-8(2)11)6-5-9(12)13-3/h8,11H,4-7H2,1-3H3
InChIKeyULFVDDZUBZGBMX-UHFFFAOYSA-N
MW189.25 g/mol
LogP0.25
Rot. Bonds6

About methyl 3-[ethyl(2-hydroxypropyl)amino]propanoate

methyl 3-[ethyl(2-hydroxypropyl)amino]propanoate (PubChem CID 62026208) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is methyl 3-[ethyl(2-hydroxypropyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[ethyl(2-hydroxypropyl)amino]propanoate
PubChem CID62026208
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC Namemethyl 3-[ethyl(2-hydroxypropyl)amino]propanoate
SMILESCCN(CCC(=O)OC)CC(C)O
InChIInChI=1S/C9H19NO3/c1-4-10(7-8(2)11)6-5-9(12)13-3/h8,11H,4-7H2,1-3H3
InChIKeyULFVDDZUBZGBMX-UHFFFAOYSA-N
XLogP0.25
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[2-hydroxypropyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 62955024
methyl 3-[2-[2-[bis(3-methoxy-3-oxopropyl)amino]ethyl-(3-methoxy-3-oxopropyl)amino]ethyl-(3-methoxy-3-oxopropyl)amino]propanoate
CID 59280841
(2R)-1-[ethyl(2-methoxyethyl)amino]propan-2-ol
CID 103935037
methyl 3-[(3-methoxy-3-oxopropyl)-(5-methylhexyl)amino]propanoate
CID 159622507
methyl 3-[ethyl-(2-hydroxy-2-methylpropyl)amino]propanoate
CID 62026400
methyl 3-[2-acetyloxypropyl-(3-methoxy-3-oxopropyl)amino]propanoate
CID 175721760
methyl 3-[2-[2-ethylbutyl-(3-methoxy-3-oxopropyl)amino]ethyl-(3-methoxy-3-oxopropyl)amino]propanoate
CID 88907395
methyl 3-[3,3-diethoxypropyl(ethyl)amino]propanoate
CID 81090824
methyl 3-[but-3-ynyl(ethyl)amino]propanoate
CID 62027913
methyl 3-[ethyl(hydroxy)amino]propanoate
CID 131223407
(2S)-1-[ethyl(2-hydroxyethyl)amino]propan-2-ol
CID 106932732
3-[bis(3-methoxy-3-oxopropyl)amino]propanoic acid
CID 172719871

Frequently Asked Questions

What is the IUPAC name of methyl 3-[ethyl(2-hydroxypropyl)amino]propanoate?
The IUPAC name of methyl 3-[ethyl(2-hydroxypropyl)amino]propanoate (CID 62026208) is methyl 3-[ethyl(2-hydroxypropyl)amino]propanoate.
What is the SMILES notation for methyl 3-[ethyl(2-hydroxypropyl)amino]propanoate?
The canonical SMILES for methyl 3-[ethyl(2-hydroxypropyl)amino]propanoate is CCN(CCC(=O)OC)CC(C)O.
What is the InChIKey of methyl 3-[ethyl(2-hydroxypropyl)amino]propanoate?
The InChIKey is ULFVDDZUBZGBMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3/c1-4-10(7-8(2)11)6-5-9(12)13-3/h8,11H,4-7H2,1-3H3.
What are the key properties of methyl 3-[ethyl(2-hydroxypropyl)amino]propanoate?
methyl 3-[ethyl(2-hydroxypropyl)amino]propanoate has a molecular weight of 189.25 g/mol, XLogP of 0.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[ethyl(2-hydroxypropyl)amino]propanoate is sourced from PubChem (CID 62026208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).