2-[2-[ethyl-[1-(3-hydroxyphenyl)ethyl]amino]-2-oxoethoxy]acetic acid

C14H19NO5 — CID 61327317

IUPAC2-[2-[ethyl-[1-(3-hydroxyphenyl)ethyl]amino]-2-oxoethoxy]acetic acid
SMILESCCN(C(=O)COCC(=O)O)C(C)c1cccc(O)c1
InChIInChI=1S/C14H19NO5/c1-3-15(13(17)8-20-9-14(18)19)10(2)11-5-4-6-12(16)7-11/h4-7,10,16H,3,8-9H2,1-2H3,(H,18,19)
InChIKeyTVZKLXWXOLEYAI-UHFFFAOYSA-N
MW281.31 g/mol
LogP1.40
Rot. Bonds7

About 2-[2-[ethyl-[1-(3-hydroxyphenyl)ethyl]amino]-2-oxoethoxy]acetic acid

2-[2-[ethyl-[1-(3-hydroxyphenyl)ethyl]amino]-2-oxoethoxy]acetic acid (PubChem CID 61327317) has the molecular formula C14H19NO5 and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-[2-[ethyl-[1-(3-hydroxyphenyl)ethyl]amino]-2-oxoethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[ethyl-[1-(3-hydroxyphenyl)ethyl]amino]-2-oxoethoxy]acetic acid
PubChem CID61327317
Molecular FormulaC14H19NO5
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Name2-[2-[ethyl-[1-(3-hydroxyphenyl)ethyl]amino]-2-oxoethoxy]acetic acid
SMILESCCN(C(=O)COCC(=O)O)C(C)c1cccc(O)c1
InChIInChI=1S/C14H19NO5/c1-3-15(13(17)8-20-9-14(18)19)10(2)11-5-4-6-12(16)7-11/h4-7,10,16H,3,8-9H2,1-2H3,(H,18,19)
InChIKeyTVZKLXWXOLEYAI-UHFFFAOYSA-N
XLogP1.40
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[ethyl-[1-(3-hydroxyphenyl)ethyl]amino]-2,2-dimethyl-4-oxobutanoic acid
CID 65302133
N-ethyl-N-[1-(3-hydroxyphenyl)ethyl]-2-methoxypropanamide
CID 112696419
(2S)-2-amino-N-ethyl-N-[1-(3-hydroxyphenyl)ethyl]-3-methylbutanamide
CID 61164790
3-[(2S)-butan-2-yl]-1-ethyl-1-[(1S)-1-(3-hydroxyphenyl)ethyl]urea
CID 94797724
2-amino-N-ethyl-N-[1-(3-hydroxyphenyl)ethyl]hexanamide
CID 60953617
N-ethyl-2-methoxy-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 95571773
[(1S)-1-(3-hydroxyphenyl)ethyl]-(3-phenylbutyl)carbamic acid
CID 66857029
3-(3-acetylphenyl)-1-ethyl-1-[(1S)-1-(3-hydroxyphenyl)ethyl]urea
CID 94798542
N-ethyl-N-[1-(3-hydroxyphenyl)ethyl]-2-oxo-1H-pyridine-4-carboxamide
CID 103800325
3-[ethyl-[1-(3-hydroxyphenyl)ethyl]sulfamoyl]propanoic acid
CID 60950620
N-ethyl-4-hydroxy-N-[1-(3-hydroxyphenyl)ethyl]pyrrolidine-2-carboxamide
CID 60953284
3-(2,5-dichlorophenyl)-1-ethyl-1-[1-(3-hydroxyphenyl)ethyl]urea
CID 60609346

Frequently Asked Questions

What is the IUPAC name of 2-[2-[ethyl-[1-(3-hydroxyphenyl)ethyl]amino]-2-oxoethoxy]acetic acid?
The IUPAC name of 2-[2-[ethyl-[1-(3-hydroxyphenyl)ethyl]amino]-2-oxoethoxy]acetic acid (CID 61327317) is 2-[2-[ethyl-[1-(3-hydroxyphenyl)ethyl]amino]-2-oxoethoxy]acetic acid.
What is the SMILES notation for 2-[2-[ethyl-[1-(3-hydroxyphenyl)ethyl]amino]-2-oxoethoxy]acetic acid?
The canonical SMILES for 2-[2-[ethyl-[1-(3-hydroxyphenyl)ethyl]amino]-2-oxoethoxy]acetic acid is CCN(C(=O)COCC(=O)O)C(C)c1cccc(O)c1.
What is the InChIKey of 2-[2-[ethyl-[1-(3-hydroxyphenyl)ethyl]amino]-2-oxoethoxy]acetic acid?
The InChIKey is TVZKLXWXOLEYAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO5/c1-3-15(13(17)8-20-9-14(18)19)10(2)11-5-4-6-12(16)7-11/h4-7,10,16H,3,8-9H2,1-2H3,(H,18,19).
What are the key properties of 2-[2-[ethyl-[1-(3-hydroxyphenyl)ethyl]amino]-2-oxoethoxy]acetic acid?
2-[2-[ethyl-[1-(3-hydroxyphenyl)ethyl]amino]-2-oxoethoxy]acetic acid has a molecular weight of 281.31 g/mol, XLogP of 1.40, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[ethyl-[1-(3-hydroxyphenyl)ethyl]amino]-2-oxoethoxy]acetic acid is sourced from PubChem (CID 61327317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).