2-amino-1-(5-ethoxycarbonyl-6-methyl-2-pyridinyl)cyclopentane-1-carboxylic acid

C15H20N2O4 — CID 68878369

IUPAC2-amino-1-(5-ethoxycarbonyl-6-methyl-2-pyridinyl)cyclopentane-1-carboxylic acid
SMILESCCOC(=O)c1ccc(C2(C(=O)O)CCCC2N)nc1C
InChIInChI=1S/C15H20N2O4/c1-3-21-13(18)10-6-7-12(17-9(10)2)15(14(19)20)8-4-5-11(15)16/h6-7,11H,3-5,8,16H2,1-2H3,(H,19,20)
InChIKeyAOBPVIMOQYVNID-UHFFFAOYSA-N
MW292.34 g/mol
LogP1.40
Rot. Bonds4

About 2-amino-1-(5-ethoxycarbonyl-6-methyl-2-pyridinyl)cyclopentane-1-carboxylic acid

2-amino-1-(5-ethoxycarbonyl-6-methyl-2-pyridinyl)cyclopentane-1-carboxylic acid (PubChem CID 68878369) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is 2-amino-1-(5-ethoxycarbonyl-6-methyl-2-pyridinyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-amino-1-(5-ethoxycarbonyl-6-methyl-2-pyridinyl)cyclopentane-1-carboxylic acid
PubChem CID68878369
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Name2-amino-1-(5-ethoxycarbonyl-6-methyl-2-pyridinyl)cyclopentane-1-carboxylic acid
SMILESCCOC(=O)c1ccc(C2(C(=O)O)CCCC2N)nc1C
InChIInChI=1S/C15H20N2O4/c1-3-21-13(18)10-6-7-12(17-9(10)2)15(14(19)20)8-4-5-11(15)16/h6-7,11H,3-5,8,16H2,1-2H3,(H,19,20)
InChIKeyAOBPVIMOQYVNID-UHFFFAOYSA-N
XLogP1.40
TPSA102.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[5-(Aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)pyridine-3-carbonyl]oxybutanoic acid;dihydrochloride
CID 69446132
4-[[5-(Aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)pyridine-3-carbonyl]oxymethyl]cyclohexane-1-carboxylic acid;dihydrochloride
CID 69446285
4-[[5-(Aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)pyridine-3-carbonyl]oxymethyl]benzoic acid;dihydrochloride
CID 69446993
Ethyl 2-methyl-6-phenylpyridine-3-carboxylate
CID 5092700
5-(Ethoxycarbonyl)-6-methylpyridine-2-carboxylic acid
CID 25672013
Ethyl 4-{[4-(ethoxycarbonyl)phenyl]amino}-2,6-dimethylpyridine-3-carboxylate
CID 756086
Ethyl 2-methyl-6-p-tolylpyridine-3-carboxylate
CID 23247461
Ethyl 2,6-dimethylnicotinate
CID 351337
Methyl 6-(aminomethyl)-2-cyclopropylpyridine-3-carboxylate hydrochloride
CID 71758500
Methyl 6-(aminomethyl)-2-methylpyridine-3-carboxylate hydrochloride
CID 178200077
Ethyl 6-methyl-2-phenylnicotinate
CID 14436637
Ethyl 2,5-dimethyl-6-phenylpyridine-3-carboxylate
CID 112561933

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(5-ethoxycarbonyl-6-methyl-2-pyridinyl)cyclopentane-1-carboxylic acid?
The IUPAC name of 2-amino-1-(5-ethoxycarbonyl-6-methyl-2-pyridinyl)cyclopentane-1-carboxylic acid (CID 68878369) is 2-amino-1-(5-ethoxycarbonyl-6-methyl-2-pyridinyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-amino-1-(5-ethoxycarbonyl-6-methyl-2-pyridinyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-amino-1-(5-ethoxycarbonyl-6-methyl-2-pyridinyl)cyclopentane-1-carboxylic acid is CCOC(=O)c1ccc(C2(C(=O)O)CCCC2N)nc1C.
What is the InChIKey of 2-amino-1-(5-ethoxycarbonyl-6-methyl-2-pyridinyl)cyclopentane-1-carboxylic acid?
The InChIKey is AOBPVIMOQYVNID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-3-21-13(18)10-6-7-12(17-9(10)2)15(14(19)20)8-4-5-11(15)16/h6-7,11H,3-5,8,16H2,1-2H3,(H,19,20).
What are the key properties of 2-amino-1-(5-ethoxycarbonyl-6-methyl-2-pyridinyl)cyclopentane-1-carboxylic acid?
2-amino-1-(5-ethoxycarbonyl-6-methyl-2-pyridinyl)cyclopentane-1-carboxylic acid has a molecular weight of 292.34 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(5-ethoxycarbonyl-6-methyl-2-pyridinyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 68878369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).