ethane;2-hydroxy-3-[4-[2-(methylamino)-2-oxoethoxy]phenyl]propanoic acid

C14H21NO5 — CID 142975502

IUPACethane;2-hydroxy-3-[4-[2-(methylamino)-2-oxoethoxy]phenyl]propanoic acid
SMILESCC.CNC(=O)COc1ccc(CC(O)C(=O)O)cc1
InChIInChI=1S/C12H15NO5.C2H6/c1-13-11(15)7-18-9-4-2-8(3-5-9)6-10(14)12(16)17;1-2/h2-5,10,14H,6-7H2,1H3,(H,13,15)(H,16,17);1-2H3
InChIKeyFZNDYAQVARQQJU-UHFFFAOYSA-N
MW283.32 g/mol
LogP0.83
Rot. Bonds6

About ethane;2-hydroxy-3-[4-[2-(methylamino)-2-oxoethoxy]phenyl]propanoic acid

ethane;2-hydroxy-3-[4-[2-(methylamino)-2-oxoethoxy]phenyl]propanoic acid (PubChem CID 142975502) has the molecular formula C14H21NO5 and a molecular weight of 283.32 g/mol. Its IUPAC name is ethane;2-hydroxy-3-[4-[2-(methylamino)-2-oxoethoxy]phenyl]propanoic acid.

Molecular Properties

Compound Nameethane;2-hydroxy-3-[4-[2-(methylamino)-2-oxoethoxy]phenyl]propanoic acid
PubChem CID142975502
Molecular FormulaC14H21NO5
Molecular Weight283.32 g/mol
Exact Mass283.14
IUPAC Nameethane;2-hydroxy-3-[4-[2-(methylamino)-2-oxoethoxy]phenyl]propanoic acid
SMILESCC.CNC(=O)COc1ccc(CC(O)C(=O)O)cc1
InChIInChI=1S/C12H15NO5.C2H6/c1-13-11(15)7-18-9-4-2-8(3-5-9)6-10(14)12(16)17;1-2/h2-5,10,14H,6-7H2,1H3,(H,13,15)(H,16,17);1-2H3
InChIKeyFZNDYAQVARQQJU-UHFFFAOYSA-N
XLogP0.83
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-[3-[4-(2-carboxy-2-hydroxyethyl)phenoxy]propoxy]phenyl]-2-hydroxypropanoic acid
CID 141111710
2-[4-[(2R)-2-[bis[(2R)-2-hydroxy-2-phenylethyl]amino]propyl]phenoxy]-N-methylacetamide
CID 70494983
2-(4-methoxyphenoxy)-N-methylacetamide
CID 606867
2-[4-[4-(aminomethyl)phenyl]phenoxy]-N-methylacetamide
CID 43366442
(2S)-3-[4-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]phenyl]-2-hydroxypropanoic acid
CID 174172244
2-[4-[2-[(2-hydroxy-2-phenylpropyl)amino]propyl]phenoxy]-N-methylacetamide
CID 57018327
2-(4-ethylphenoxy)-N-[2-(methylamino)-2-oxoethoxy]acetamide
CID 110495647
2-[4-[(2S)-2-(methylamino)propyl]phenoxy]acetic acid
CID 10236117
(2S)-2-[[2-(4-fluorophenoxy)acetyl]amino]propanoic acid
CID 92918438
(E)-3-[4-[2-(methylamino)-2-oxoethoxy]phenyl]prop-2-enoic acid
CID 29017777
(2R)-3-(4-benzylphenyl)-2-hydroxypropanoic acid
CID 150376143
(2S)-4-[[2-(4-ethoxyphenoxy)acetyl]amino]-2-hydroxybutanoic acid
CID 107834053

Frequently Asked Questions

What is the IUPAC name of ethane;2-hydroxy-3-[4-[2-(methylamino)-2-oxoethoxy]phenyl]propanoic acid?
The IUPAC name of ethane;2-hydroxy-3-[4-[2-(methylamino)-2-oxoethoxy]phenyl]propanoic acid (CID 142975502) is ethane;2-hydroxy-3-[4-[2-(methylamino)-2-oxoethoxy]phenyl]propanoic acid.
What is the SMILES notation for ethane;2-hydroxy-3-[4-[2-(methylamino)-2-oxoethoxy]phenyl]propanoic acid?
The canonical SMILES for ethane;2-hydroxy-3-[4-[2-(methylamino)-2-oxoethoxy]phenyl]propanoic acid is CC.CNC(=O)COc1ccc(CC(O)C(=O)O)cc1.
What is the InChIKey of ethane;2-hydroxy-3-[4-[2-(methylamino)-2-oxoethoxy]phenyl]propanoic acid?
The InChIKey is FZNDYAQVARQQJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO5.C2H6/c1-13-11(15)7-18-9-4-2-8(3-5-9)6-10(14)12(16)17;1-2/h2-5,10,14H,6-7H2,1H3,(H,13,15)(H,16,17);1-2H3.
What are the key properties of ethane;2-hydroxy-3-[4-[2-(methylamino)-2-oxoethoxy]phenyl]propanoic acid?
ethane;2-hydroxy-3-[4-[2-(methylamino)-2-oxoethoxy]phenyl]propanoic acid has a molecular weight of 283.32 g/mol, XLogP of 0.83, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-hydroxy-3-[4-[2-(methylamino)-2-oxoethoxy]phenyl]propanoic acid is sourced from PubChem (CID 142975502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).