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

C16H26N2O4 — CID 3897212

IUPAC2-amino-3-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]propanoic acid
SMILESCCN(CC)CCOc1ccc(CC(N)C(=O)O)cc1OC
InChIInChI=1S/C16H26N2O4/c1-4-18(5-2)8-9-22-14-7-6-12(11-15(14)21-3)10-13(17)16(19)20/h6-7,11,13H,4-5,8-10,17H2,1-3H3,(H,19,20)
InChIKeyYEWYGMRQLVNJAH-UHFFFAOYSA-N
MW310.39 g/mol
LogP1.37
Rot. Bonds10

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

2-amino-3-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]propanoic acid (PubChem CID 3897212) has the molecular formula C16H26N2O4 and a molecular weight of 310.39 g/mol. Its IUPAC name is 2-amino-3-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]propanoic acid.

Molecular Properties

Compound Name2-amino-3-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]propanoic acid
PubChem CID3897212
Molecular FormulaC16H26N2O4
Molecular Weight310.39 g/mol
Exact Mass310.19
IUPAC Name2-amino-3-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]propanoic acid
SMILESCCN(CC)CCOc1ccc(CC(N)C(=O)O)cc1OC
InChIInChI=1S/C16H26N2O4/c1-4-18(5-2)8-9-22-14-7-6-12(11-15(14)21-3)10-13(17)16(19)20/h6-7,11,13H,4-5,8-10,17H2,1-3H3,(H,19,20)
InChIKeyYEWYGMRQLVNJAH-UHFFFAOYSA-N
XLogP1.37
TPSA85.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl (2S)-2-amino-3-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]propanoate;dihydrochloride
CID 3042861
2-amino-3-(4-ethoxy-3-methoxyphenyl)propanoic acid
CID 54846805
3-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]-2-phenylpropanoic acid
CID 22682030
2-amino-2-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]acetic acid
CID 4258728
methyl 2-amino-3-[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]propanoate
CID 170884590
(2S)-2-amino-3-(3,4-dimethoxyphenyl)propanoic acid;2-[amino(methyl)amino]propanoic acid
CID 91873500
2-amino-3-(3-ethoxy-4-propoxyphenyl)propanoic acid
CID 170879715
4-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methylamino]-4-oxobutanoic acid
CID 20992977
2-amino-3-[4-(cyclopropylmethoxy)-3-methoxyphenyl]propanoic acid
CID 117417115
methyl 2-amino-3-[3-methoxy-4-(2-methoxyethoxy)phenyl]propanoate
CID 170884561
N-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-3-(3,4-dimethoxyphenyl)propanamide
CID 55931587
(2S)-2-amino-3-(4-chloro-3-methoxyphenyl)propanoic acid
CID 57319937

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]propanoic acid?
The IUPAC name of 2-amino-3-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]propanoic acid (CID 3897212) is 2-amino-3-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]propanoic acid.
What is the SMILES notation for 2-amino-3-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]propanoic acid?
The canonical SMILES for 2-amino-3-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]propanoic acid is CCN(CC)CCOc1ccc(CC(N)C(=O)O)cc1OC.
What is the InChIKey of 2-amino-3-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]propanoic acid?
The InChIKey is YEWYGMRQLVNJAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O4/c1-4-18(5-2)8-9-22-14-7-6-12(11-15(14)21-3)10-13(17)16(19)20/h6-7,11,13H,4-5,8-10,17H2,1-3H3,(H,19,20).
What are the key properties of 2-amino-3-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]propanoic acid?
2-amino-3-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]propanoic acid has a molecular weight of 310.39 g/mol, XLogP of 1.37, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]propanoic acid is sourced from PubChem (CID 3897212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).