2-amino-2-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]acetic acid

C15H24N2O4 — CID 4258728

IUPAC2-amino-2-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]acetic acid
SMILESCCN(CC)CCOc1ccc(C(N)C(=O)O)cc1OC
InChIInChI=1S/C15H24N2O4/c1-4-17(5-2)8-9-21-12-7-6-11(10-13(12)20-3)14(16)15(18)19/h6-7,10,14H,4-5,8-9,16H2,1-3H3,(H,18,19)
InChIKeySPKPBVHEEGEORA-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.50
Rot. Bonds9

About 2-amino-2-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]acetic acid

2-amino-2-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]acetic acid (PubChem CID 4258728) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-amino-2-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]acetic acid.

Molecular Properties

Compound Name2-amino-2-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]acetic acid
PubChem CID4258728
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Name2-amino-2-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]acetic acid
SMILESCCN(CC)CCOc1ccc(C(N)C(=O)O)cc1OC
InChIInChI=1S/C15H24N2O4/c1-4-17(5-2)8-9-21-12-7-6-11(10-13(12)20-3)14(16)15(18)19/h6-7,10,14H,4-5,8-9,16H2,1-3H3,(H,18,19)
InChIKeySPKPBVHEEGEORA-UHFFFAOYSA-N
XLogP1.50
TPSA85.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.50
H-Bond Donors ≤ 52
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
(2S)-2-amino-2-[4-(2-hydroxyethoxy)-3-methoxyphenyl]acetic acid
CID 66512825
2-amino-3-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]propanoic acid
CID 3897212
(2R)-2-amino-2-(3-ethoxy-4-methoxyphenyl)acetic acid
CID 124634766
3-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]-2-phenylpropanoic acid
CID 22682030
ethyl (2S)-2-amino-3-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]propanoate;dihydrochloride
CID 3042861
(2R)-2-amino-2-(4-butoxy-3-ethoxyphenyl)acetic acid
CID 7139571
4-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methylamino]-4-oxobutanoic acid
CID 20992977
(2S)-2-amino-2-(4-cyclopentyloxy-3-methoxyphenyl)acetic acid
CID 66513349
2-amino-2-(4-cyclopentyloxy-3-methoxyphenyl)acetic acid
CID 77129521
(2S)-2-amino-N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-3,3-dimethylbutanamide;dihydrochloride
CID 119865034

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]acetic acid?
The IUPAC name of 2-amino-2-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]acetic acid (CID 4258728) is 2-amino-2-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]acetic acid.
What is the SMILES notation for 2-amino-2-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]acetic acid?
The canonical SMILES for 2-amino-2-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]acetic acid is CCN(CC)CCOc1ccc(C(N)C(=O)O)cc1OC.
What is the InChIKey of 2-amino-2-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]acetic acid?
The InChIKey is SPKPBVHEEGEORA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-4-17(5-2)8-9-21-12-7-6-11(10-13(12)20-3)14(16)15(18)19/h6-7,10,14H,4-5,8-9,16H2,1-3H3,(H,18,19).
What are the key properties of 2-amino-2-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]acetic acid?
2-amino-2-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]acetic acid has a molecular weight of 296.37 g/mol, XLogP of 1.50, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]acetic acid is sourced from PubChem (CID 4258728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).