ethyl 3-hydroxy-4-[2-hydroxyethyl(methyl)amino]butanoate

C9H19NO4 — CID 82778622

IUPACethyl 3-hydroxy-4-[2-hydroxyethyl(methyl)amino]butanoate
SMILESCCOC(=O)CC(O)CN(C)CCO
InChIInChI=1S/C9H19NO4/c1-3-14-9(13)6-8(12)7-10(2)4-5-11/h8,11-12H,3-7H2,1-2H3
InChIKeyRJYYYFVXQZWTRZ-UHFFFAOYSA-N
MW205.25 g/mol
LogP-0.78
Rot. Bonds7

About ethyl 3-hydroxy-4-[2-hydroxyethyl(methyl)amino]butanoate

ethyl 3-hydroxy-4-[2-hydroxyethyl(methyl)amino]butanoate (PubChem CID 82778622) has the molecular formula C9H19NO4 and a molecular weight of 205.25 g/mol. Its IUPAC name is ethyl 3-hydroxy-4-[2-hydroxyethyl(methyl)amino]butanoate.

Molecular Properties

Compound Nameethyl 3-hydroxy-4-[2-hydroxyethyl(methyl)amino]butanoate
PubChem CID82778622
Molecular FormulaC9H19NO4
Molecular Weight205.25 g/mol
Exact Mass205.13
IUPAC Nameethyl 3-hydroxy-4-[2-hydroxyethyl(methyl)amino]butanoate
SMILESCCOC(=O)CC(O)CN(C)CCO
InChIInChI=1S/C9H19NO4/c1-3-14-9(13)6-8(12)7-10(2)4-5-11/h8,11-12H,3-7H2,1-2H3
InChIKeyRJYYYFVXQZWTRZ-UHFFFAOYSA-N
XLogP-0.78
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.25
LogP ≤ 5-0.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[2-(cyclopropylmethoxy)ethyl-methylamino]-3-hydroxybutanoate
CID 82769393
1-ethoxy-3-[2-hydroxyethyl(methyl)amino]propan-2-ol
CID 63934385
ethyl 3-hydroxy-4-[(1-hydroxycyclopentyl)methyl-methylamino]butanoate
CID 114950146
ethyl (3R)-3,7-dihydroxyheptanoate
CID 11252487
ethyl 3-hydroxy-4-[methyl-(1-methylpiperidin-4-yl)amino]butanoate
CID 82776528
ethyl 4-[3-(dimethylamino)propylamino]-3-hydroxybutanoate
CID 103235946
ethyl 4-[(2-amino-2-oxoethyl)-ethylamino]-3-hydroxybutanoate
CID 103102950
ethyl 3-[3-hydroxypropyl(methyl)amino]propanoate
CID 62012804
methyl 4-[3,3-dimethylbutyl(methyl)amino]-3-hydroxybutanoate
CID 115123454
ethyl 4-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-3-hydroxybutanoate
CID 82770373
ethyl 3-[2-fluoropropyl(methyl)amino]propanoate
CID 44521775
ethyl 3-hydroxy-4-[[2-(methylamino)-2-oxoethyl]-propylamino]butanoate
CID 82770317

Frequently Asked Questions

What is the IUPAC name of ethyl 3-hydroxy-4-[2-hydroxyethyl(methyl)amino]butanoate?
The IUPAC name of ethyl 3-hydroxy-4-[2-hydroxyethyl(methyl)amino]butanoate (CID 82778622) is ethyl 3-hydroxy-4-[2-hydroxyethyl(methyl)amino]butanoate.
What is the SMILES notation for ethyl 3-hydroxy-4-[2-hydroxyethyl(methyl)amino]butanoate?
The canonical SMILES for ethyl 3-hydroxy-4-[2-hydroxyethyl(methyl)amino]butanoate is CCOC(=O)CC(O)CN(C)CCO.
What is the InChIKey of ethyl 3-hydroxy-4-[2-hydroxyethyl(methyl)amino]butanoate?
The InChIKey is RJYYYFVXQZWTRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO4/c1-3-14-9(13)6-8(12)7-10(2)4-5-11/h8,11-12H,3-7H2,1-2H3.
What are the key properties of ethyl 3-hydroxy-4-[2-hydroxyethyl(methyl)amino]butanoate?
ethyl 3-hydroxy-4-[2-hydroxyethyl(methyl)amino]butanoate has a molecular weight of 205.25 g/mol, XLogP of -0.78, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-hydroxy-4-[2-hydroxyethyl(methyl)amino]butanoate is sourced from PubChem (CID 82778622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).