1-[[(5-ethoxycarbonyl-2-pyridinyl)amino]methyl]cyclopropane-1-carboxylic acid

C13H16N2O4 — CID 115450434

IUPAC1-[[(5-ethoxycarbonyl-2-pyridinyl)amino]methyl]cyclopropane-1-carboxylic acid
SMILESCCOC(=O)c1ccc(NCC2(C(=O)O)CC2)nc1
InChIInChI=1S/C13H16N2O4/c1-2-19-11(16)9-3-4-10(14-7-9)15-8-13(5-6-13)12(17)18/h3-4,7H,2,5-6,8H2,1H3,(H,14,15)(H,17,18)
InChIKeyPZTKEDGUZKYEKL-UHFFFAOYSA-N
MW264.28 g/mol
LogP1.53
Rot. Bonds6

About 1-[[(5-ethoxycarbonyl-2-pyridinyl)amino]methyl]cyclopropane-1-carboxylic acid

1-[[(5-ethoxycarbonyl-2-pyridinyl)amino]methyl]cyclopropane-1-carboxylic acid (PubChem CID 115450434) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is 1-[[(5-ethoxycarbonyl-2-pyridinyl)amino]methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[(5-ethoxycarbonyl-2-pyridinyl)amino]methyl]cyclopropane-1-carboxylic acid
PubChem CID115450434
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name1-[[(5-ethoxycarbonyl-2-pyridinyl)amino]methyl]cyclopropane-1-carboxylic acid
SMILESCCOC(=O)c1ccc(NCC2(C(=O)O)CC2)nc1
InChIInChI=1S/C13H16N2O4/c1-2-19-11(16)9-3-4-10(14-7-9)15-8-13(5-6-13)12(17)18/h3-4,7H,2,5-6,8H2,1H3,(H,14,15)(H,17,18)
InChIKeyPZTKEDGUZKYEKL-UHFFFAOYSA-N
XLogP1.53
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 6-(2,2-dimethylpropylamino)pyridine-3-carboxylate
CID 61166664
1-[[(5-carbamoyl-2-pyridinyl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid
CID 115441131
ethyl 6-[(3-amino-3-oxopropyl)amino]pyridine-3-carboxylate
CID 43532828
ethyl 6-[[2-(methylamino)-2-oxoethyl]amino]pyridine-3-carboxylate
CID 43243884
ethyl 6-[(4-ethylcyclohexyl)methylamino]pyridine-3-carboxylate
CID 63541483
ethyl 6-(2-methylbutylamino)pyridine-3-carboxylate
CID 55108410
ethyl 6-(1,3-thiazol-5-ylmethylamino)pyridine-3-carboxylate
CID 104577452
ethyl 6-[[3-(diethylamino)-3-oxopropyl]amino]pyridine-3-carboxylate
CID 60926074
ethyl 6-[(3-hydroxy-2-methylpropyl)amino]pyridine-3-carboxylate
CID 61362810
ethyl 6-(2-phenylpropylamino)pyridine-3-carboxylate
CID 115578365
ethyl 6-[(4-methyloxan-4-yl)amino]pyridine-3-carboxylate
CID 114075090
ethyl 6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]pyridine-3-carboxylate
CID 107389562

Frequently Asked Questions

What is the IUPAC name of 1-[[(5-ethoxycarbonyl-2-pyridinyl)amino]methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[[(5-ethoxycarbonyl-2-pyridinyl)amino]methyl]cyclopropane-1-carboxylic acid (CID 115450434) is 1-[[(5-ethoxycarbonyl-2-pyridinyl)amino]methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[[(5-ethoxycarbonyl-2-pyridinyl)amino]methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[[(5-ethoxycarbonyl-2-pyridinyl)amino]methyl]cyclopropane-1-carboxylic acid is CCOC(=O)c1ccc(NCC2(C(=O)O)CC2)nc1.
What is the InChIKey of 1-[[(5-ethoxycarbonyl-2-pyridinyl)amino]methyl]cyclopropane-1-carboxylic acid?
The InChIKey is PZTKEDGUZKYEKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c1-2-19-11(16)9-3-4-10(14-7-9)15-8-13(5-6-13)12(17)18/h3-4,7H,2,5-6,8H2,1H3,(H,14,15)(H,17,18).
What are the key properties of 1-[[(5-ethoxycarbonyl-2-pyridinyl)amino]methyl]cyclopropane-1-carboxylic acid?
1-[[(5-ethoxycarbonyl-2-pyridinyl)amino]methyl]cyclopropane-1-carboxylic acid has a molecular weight of 264.28 g/mol, XLogP of 1.53, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(5-ethoxycarbonyl-2-pyridinyl)amino]methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 115450434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).