2-amino-3-(2-ethoxycarbonyl-4-pyridinyl)propanoic acid

C11H14N2O4 — CID 90034851

IUPAC2-amino-3-(2-ethoxycarbonyl-4-pyridinyl)propanoic acid
SMILESCCOC(=O)c1cc(CC(N)C(=O)O)ccn1
InChIInChI=1S/C11H14N2O4/c1-2-17-11(16)9-6-7(3-4-13-9)5-8(12)10(14)15/h3-4,6,8H,2,5,12H2,1H3,(H,14,15)
InChIKeyIXZSXFMOENGQBQ-UHFFFAOYSA-N
MW238.24 g/mol
LogP0.21
Rot. Bonds5

About 2-amino-3-(2-ethoxycarbonyl-4-pyridinyl)propanoic acid

2-amino-3-(2-ethoxycarbonyl-4-pyridinyl)propanoic acid (PubChem CID 90034851) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is 2-amino-3-(2-ethoxycarbonyl-4-pyridinyl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(2-ethoxycarbonyl-4-pyridinyl)propanoic acid
PubChem CID90034851
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name2-amino-3-(2-ethoxycarbonyl-4-pyridinyl)propanoic acid
SMILESCCOC(=O)c1cc(CC(N)C(=O)O)ccn1
InChIInChI=1S/C11H14N2O4/c1-2-17-11(16)9-6-7(3-4-13-9)5-8(12)10(14)15/h3-4,6,8H,2,5,12H2,1H3,(H,14,15)
InChIKeyIXZSXFMOENGQBQ-UHFFFAOYSA-N
XLogP0.21
TPSA102.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl (2R)-2-amino-3-(2-methoxy-4-pyridinyl)propanoate
CID 124559660
(2S)-2-amino-3-(4-ethylphenyl)propanoic acid
CID 13406785
2-amino-3-(4-ethoxy-3-methoxyphenyl)propanoic acid
CID 54846805
ethane;2-ethoxycarbonylpyridine-4-carboxylic acid;2-propan-2-yloxycarbonylpyridine-4-carboxylic acid
CID 145150631
(2R)-2-amino-3-(3,4-dimethylphenyl)propanoic acid
CID 56845605
2-amino-3-(4-methyl-2-pyridinyl)propanoic acid
CID 55267483
2-amino-3-[4-(hydroxymethyl)-2-pyridinyl]propanoic acid
CID 55268385
(2R)-2-amino-3-(4-methyl-2-pyridinyl)propanoic acid
CID 55293351
ethyl 4-(4-ethoxyphenyl)pyridine-2-carboxylate
CID 162649952
ethyl 6-pyridin-4-ylpyrimidine-4-carboxylate
CID 122239334
ethyl 4-methylpyridine-2-carboxylate;ethyl 5-methylpyridine-2-carboxylate
CID 158456566
2-amino-3-(3-ethoxy-4-propoxyphenyl)propanoic acid
CID 170879715

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2-ethoxycarbonyl-4-pyridinyl)propanoic acid?
The IUPAC name of 2-amino-3-(2-ethoxycarbonyl-4-pyridinyl)propanoic acid (CID 90034851) is 2-amino-3-(2-ethoxycarbonyl-4-pyridinyl)propanoic acid.
What is the SMILES notation for 2-amino-3-(2-ethoxycarbonyl-4-pyridinyl)propanoic acid?
The canonical SMILES for 2-amino-3-(2-ethoxycarbonyl-4-pyridinyl)propanoic acid is CCOC(=O)c1cc(CC(N)C(=O)O)ccn1.
What is the InChIKey of 2-amino-3-(2-ethoxycarbonyl-4-pyridinyl)propanoic acid?
The InChIKey is IXZSXFMOENGQBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-2-17-11(16)9-6-7(3-4-13-9)5-8(12)10(14)15/h3-4,6,8H,2,5,12H2,1H3,(H,14,15).
What are the key properties of 2-amino-3-(2-ethoxycarbonyl-4-pyridinyl)propanoic acid?
2-amino-3-(2-ethoxycarbonyl-4-pyridinyl)propanoic acid has a molecular weight of 238.24 g/mol, XLogP of 0.21, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2-ethoxycarbonyl-4-pyridinyl)propanoic acid is sourced from PubChem (CID 90034851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).