(2S)-2-amino-2-[4-(2-hydroxyethoxy)-3-methoxyphenyl]acetic acid

C11H15NO5 — CID 66512825

IUPAC(2S)-2-amino-2-[4-(2-hydroxyethoxy)-3-methoxyphenyl]acetic acid
SMILESCOc1cc([C@H](N)C(=O)O)ccc1OCCO
InChIInChI=1S/C11H15NO5/c1-16-9-6-7(10(12)11(14)15)2-3-8(9)17-5-4-13/h2-3,6,10,13H,4-5,12H2,1H3,(H,14,15)/t10-/m0/s1
InChIKeyQDCZKPPOSDNPFY-JTQLQIEISA-N
MW241.24 g/mol
LogP0.15
Rot. Bonds6

About (2S)-2-amino-2-[4-(2-hydroxyethoxy)-3-methoxyphenyl]acetic acid

(2S)-2-amino-2-[4-(2-hydroxyethoxy)-3-methoxyphenyl]acetic acid (PubChem CID 66512825) has the molecular formula C11H15NO5 and a molecular weight of 241.24 g/mol. Its IUPAC name is (2S)-2-amino-2-[4-(2-hydroxyethoxy)-3-methoxyphenyl]acetic acid.

Molecular Properties

Compound Name(2S)-2-amino-2-[4-(2-hydroxyethoxy)-3-methoxyphenyl]acetic acid
PubChem CID66512825
Molecular FormulaC11H15NO5
Molecular Weight241.24 g/mol
Exact Mass241.10
IUPAC Name(2S)-2-amino-2-[4-(2-hydroxyethoxy)-3-methoxyphenyl]acetic acid
SMILESCOc1cc([C@H](N)C(=O)O)ccc1OCCO
InChIInChI=1S/C11H15NO5/c1-16-9-6-7(10(12)11(14)15)2-3-8(9)17-5-4-13/h2-3,6,10,13H,4-5,12H2,1H3,(H,14,15)/t10-/m0/s1
InChIKeyQDCZKPPOSDNPFY-JTQLQIEISA-N
XLogP0.15
TPSA102.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.24
LogP ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-amino-2-(4-butoxy-3-methoxyphenyl)acetic acid
CID 7139531
2-amino-2-(3-methoxy-4-pentoxyphenyl)acetic acid
CID 16641918
2-amino-2-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]acetic acid
CID 4258728
(2S)-2-amino-2-[4-(2-hydroxyethoxy)-3-methoxyphenyl]ethanol
CID 66515047
(2R)-2-amino-2-(3-ethoxy-4-methoxyphenyl)acetic acid
CID 124634766
(2R)-2-amino-2-(4-butoxy-3-ethoxyphenyl)acetic acid
CID 7139571
1-ethyl-3-[(1R)-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]ethyl]urea
CID 94192184
2-amino-2-(4-cyclopentyloxy-3-methoxyphenyl)acetic acid
CID 77129521
(2S)-2-amino-2-(4-cyclopentyloxy-3-methoxyphenyl)acetic acid
CID 66513349
(2R)-2-[[4-(2-hydroxyethoxy)-3-methoxyphenyl]methylamino]propanoic acid
CID 95003448
3-[4-[(1S)-1-aminoethyl]-2-methoxyphenoxy]-N-methylpropanamide
CID 78936627
(2S)-2-amino-2-[3-(cyanomethyl)-4-methoxyphenyl]acetic acid
CID 66512345

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-[4-(2-hydroxyethoxy)-3-methoxyphenyl]acetic acid?
The IUPAC name of (2S)-2-amino-2-[4-(2-hydroxyethoxy)-3-methoxyphenyl]acetic acid (CID 66512825) is (2S)-2-amino-2-[4-(2-hydroxyethoxy)-3-methoxyphenyl]acetic acid.
What is the SMILES notation for (2S)-2-amino-2-[4-(2-hydroxyethoxy)-3-methoxyphenyl]acetic acid?
The canonical SMILES for (2S)-2-amino-2-[4-(2-hydroxyethoxy)-3-methoxyphenyl]acetic acid is COc1cc([C@H](N)C(=O)O)ccc1OCCO.
What is the InChIKey of (2S)-2-amino-2-[4-(2-hydroxyethoxy)-3-methoxyphenyl]acetic acid?
The InChIKey is QDCZKPPOSDNPFY-JTQLQIEISA-N. The full InChI is InChI=1S/C11H15NO5/c1-16-9-6-7(10(12)11(14)15)2-3-8(9)17-5-4-13/h2-3,6,10,13H,4-5,12H2,1H3,(H,14,15)/t10-/m0/s1.
What are the key properties of (2S)-2-amino-2-[4-(2-hydroxyethoxy)-3-methoxyphenyl]acetic acid?
(2S)-2-amino-2-[4-(2-hydroxyethoxy)-3-methoxyphenyl]acetic acid has a molecular weight of 241.24 g/mol, XLogP of 0.15, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-[4-(2-hydroxyethoxy)-3-methoxyphenyl]acetic acid is sourced from PubChem (CID 66512825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).