2-amino-3-(3-ethoxy-4-propoxyphenyl)propanoic acid

C14H21NO4 — CID 170879715

IUPAC2-amino-3-(3-ethoxy-4-propoxyphenyl)propanoic acid
SMILESCCCOc1ccc(CC(N)C(=O)O)cc1OCC
InChIInChI=1S/C14H21NO4/c1-3-7-19-12-6-5-10(8-11(15)14(16)17)9-13(12)18-4-2/h5-6,9,11H,3-4,7-8,15H2,1-2H3,(H,16,17)
InChIKeyRDLRBCZJZJBPLQ-UHFFFAOYSA-N
MW267.32 g/mol
LogP1.83
Rot. Bonds8

About 2-amino-3-(3-ethoxy-4-propoxyphenyl)propanoic acid

2-amino-3-(3-ethoxy-4-propoxyphenyl)propanoic acid (PubChem CID 170879715) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is 2-amino-3-(3-ethoxy-4-propoxyphenyl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(3-ethoxy-4-propoxyphenyl)propanoic acid
PubChem CID170879715
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Name2-amino-3-(3-ethoxy-4-propoxyphenyl)propanoic acid
SMILESCCCOc1ccc(CC(N)C(=O)O)cc1OCC
InChIInChI=1S/C14H21NO4/c1-3-7-19-12-6-5-10(8-11(15)14(16)17)9-13(12)18-4-2/h5-6,9,11H,3-4,7-8,15H2,1-2H3,(H,16,17)
InChIKeyRDLRBCZJZJBPLQ-UHFFFAOYSA-N
XLogP1.83
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-(4-ethoxy-3-methoxyphenyl)propanoic acid
CID 54846805
2-amino-3-[3-[(dimethylamino)methyl]-4-propoxyphenyl]propanoic acid
CID 170880144
2-amino-3-(4-cyclopentyloxy-3-ethoxyphenyl)propanoic acid
CID 170879775
1-(3-ethoxy-4-propoxyphenyl)propan-2-ol
CID 82161162
diethyl 2-[(3,4-diethoxyphenyl)methyl]propanedioate
CID 71574869
2-amino-3-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]propanoic acid
CID 3897212
2-(3-ethoxy-4-propoxyphenyl)acetate
CID 7139426
2-[(3-ethoxy-4-propoxyphenyl)methylamino]butanoic acid
CID 82364745
5-(3,4-dipropoxyphenyl)-4-methylpentan-2-one
CID 83931996
2-amino-3-[3-(imidazol-1-ylmethyl)-4-propoxyphenyl]propanoic acid
CID 170880143
1-(3-ethoxy-4-pentoxyphenyl)propan-2-amine
CID 54929069
2-amino-3-[4-(cyclopropylmethoxy)-3-methoxyphenyl]propanoic acid
CID 117417115

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(3-ethoxy-4-propoxyphenyl)propanoic acid?
The IUPAC name of 2-amino-3-(3-ethoxy-4-propoxyphenyl)propanoic acid (CID 170879715) is 2-amino-3-(3-ethoxy-4-propoxyphenyl)propanoic acid.
What is the SMILES notation for 2-amino-3-(3-ethoxy-4-propoxyphenyl)propanoic acid?
The canonical SMILES for 2-amino-3-(3-ethoxy-4-propoxyphenyl)propanoic acid is CCCOc1ccc(CC(N)C(=O)O)cc1OCC.
What is the InChIKey of 2-amino-3-(3-ethoxy-4-propoxyphenyl)propanoic acid?
The InChIKey is RDLRBCZJZJBPLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-3-7-19-12-6-5-10(8-11(15)14(16)17)9-13(12)18-4-2/h5-6,9,11H,3-4,7-8,15H2,1-2H3,(H,16,17).
What are the key properties of 2-amino-3-(3-ethoxy-4-propoxyphenyl)propanoic acid?
2-amino-3-(3-ethoxy-4-propoxyphenyl)propanoic acid has a molecular weight of 267.32 g/mol, XLogP of 1.83, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(3-ethoxy-4-propoxyphenyl)propanoic acid is sourced from PubChem (CID 170879715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).