2-[[2-(3,4-diethoxyphenyl)-2-hydroxyethyl]amino]acetic acid

C14H21NO5 — CID 82315710

IUPAC2-[[2-(3,4-diethoxyphenyl)-2-hydroxyethyl]amino]acetic acid
SMILESCCOc1ccc(C(O)CNCC(=O)O)cc1OCC
InChIInChI=1S/C14H21NO5/c1-3-19-12-6-5-10(7-13(12)20-4-2)11(16)8-15-9-14(17)18/h5-7,11,15-16H,3-4,8-9H2,1-2H3,(H,17,18)
InChIKeySSCHWLZRKNLBDW-UHFFFAOYSA-N
MW283.32 g/mol
LogP1.19
Rot. Bonds9

About 2-[[2-(3,4-diethoxyphenyl)-2-hydroxyethyl]amino]acetic acid

2-[[2-(3,4-diethoxyphenyl)-2-hydroxyethyl]amino]acetic acid (PubChem CID 82315710) has the molecular formula C14H21NO5 and a molecular weight of 283.32 g/mol. Its IUPAC name is 2-[[2-(3,4-diethoxyphenyl)-2-hydroxyethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-(3,4-diethoxyphenyl)-2-hydroxyethyl]amino]acetic acid
PubChem CID82315710
Molecular FormulaC14H21NO5
Molecular Weight283.32 g/mol
Exact Mass283.14
IUPAC Name2-[[2-(3,4-diethoxyphenyl)-2-hydroxyethyl]amino]acetic acid
SMILESCCOc1ccc(C(O)CNCC(=O)O)cc1OCC
InChIInChI=1S/C14H21NO5/c1-3-19-12-6-5-10(7-13(12)20-4-2)11(16)8-15-9-14(17)18/h5-7,11,15-16H,3-4,8-9H2,1-2H3,(H,17,18)
InChIKeySSCHWLZRKNLBDW-UHFFFAOYSA-N
XLogP1.19
TPSA88.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-(3,4-diethoxyphenyl)-6-hydroxyhexanoic acid
CID 43447097
1-(3,4-diethoxyphenyl)-2-(prop-2-enylamino)ethanol
CID 82315713
2-[2-(carboxymethoxy)-4-[1-hydroxy-2-(methylamino)ethyl]phenoxy]acetic acid
CID 70059281
(1S)-1-(3,4-diethoxyphenyl)propan-1-ol
CID 82758130
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-3,4-diethoxybenzamide
CID 90613391
2-amino-1-(3,4-diethoxyphenyl)ethanol
CID 18627975
2-(3,4-diethoxyphenyl)butanedioic acid
CID 4917876
2-[[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]amino]acetic acid
CID 82314145
(5R)-5-amino-5-(3,4-diethoxyphenyl)pentanoic acid
CID 28931104
2-[[2-(4-acetamidophenyl)-2-hydroxyethyl]amino]acetic acid
CID 82314595
methyl 2-(3,4-diethoxyphenyl)propanoate
CID 55071930
1-(3,4-diethoxyphenyl)-3-methoxypropan-1-ol
CID 62789961

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3,4-diethoxyphenyl)-2-hydroxyethyl]amino]acetic acid?
The IUPAC name of 2-[[2-(3,4-diethoxyphenyl)-2-hydroxyethyl]amino]acetic acid (CID 82315710) is 2-[[2-(3,4-diethoxyphenyl)-2-hydroxyethyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-(3,4-diethoxyphenyl)-2-hydroxyethyl]amino]acetic acid?
The canonical SMILES for 2-[[2-(3,4-diethoxyphenyl)-2-hydroxyethyl]amino]acetic acid is CCOc1ccc(C(O)CNCC(=O)O)cc1OCC.
What is the InChIKey of 2-[[2-(3,4-diethoxyphenyl)-2-hydroxyethyl]amino]acetic acid?
The InChIKey is SSCHWLZRKNLBDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO5/c1-3-19-12-6-5-10(7-13(12)20-4-2)11(16)8-15-9-14(17)18/h5-7,11,15-16H,3-4,8-9H2,1-2H3,(H,17,18).
What are the key properties of 2-[[2-(3,4-diethoxyphenyl)-2-hydroxyethyl]amino]acetic acid?
2-[[2-(3,4-diethoxyphenyl)-2-hydroxyethyl]amino]acetic acid has a molecular weight of 283.32 g/mol, XLogP of 1.19, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3,4-diethoxyphenyl)-2-hydroxyethyl]amino]acetic acid is sourced from PubChem (CID 82315710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).