2-[(5-ethoxycarbonyl-2-pyridinyl)-propylamino]acetic acid

C13H18N2O4 — CID 54898866

IUPAC2-[(5-ethoxycarbonyl-2-pyridinyl)-propylamino]acetic acid
SMILESCCCN(CC(=O)O)c1ccc(C(=O)OCC)cn1
InChIInChI=1S/C13H18N2O4/c1-3-7-15(9-12(16)17)11-6-5-10(8-14-11)13(18)19-4-2/h5-6,8H,3-4,7,9H2,1-2H3,(H,16,17)
InChIKeyKNQHOTSBXVAICQ-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.56
Rot. Bonds7

About 2-[(5-ethoxycarbonyl-2-pyridinyl)-propylamino]acetic acid

2-[(5-ethoxycarbonyl-2-pyridinyl)-propylamino]acetic acid (PubChem CID 54898866) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-[(5-ethoxycarbonyl-2-pyridinyl)-propylamino]acetic acid.

Molecular Properties

Compound Name2-[(5-ethoxycarbonyl-2-pyridinyl)-propylamino]acetic acid
PubChem CID54898866
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name2-[(5-ethoxycarbonyl-2-pyridinyl)-propylamino]acetic acid
SMILESCCCN(CC(=O)O)c1ccc(C(=O)OCC)cn1
InChIInChI=1S/C13H18N2O4/c1-3-7-15(9-12(16)17)11-6-5-10(8-14-11)13(18)19-4-2/h5-6,8H,3-4,7,9H2,1-2H3,(H,16,17)
InChIKeyKNQHOTSBXVAICQ-UHFFFAOYSA-N
XLogP1.56
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 6-[2-hydroxyethyl(propyl)amino]pyridine-3-carboxylate
CID 61425576
ethyl 6-[(2-ethoxy-2-oxoethyl)-ethylamino]pyridine-3-carboxylate
CID 62007392
ethyl 6-[ethyl(2-hydroxyethyl)amino]pyridine-3-carboxylate
CID 61145395
1-[6-(dipropylamino)-3-pyridinyl]propan-1-one
CID 102546645
ethyl 6-(aminomethyl)pyridine-3-carboxylate;hydrochloride
CID 57360953
ethyl 6-[chloro-[(2S)-2-hydroxypropyl]amino]pyridine-3-carboxylate
CID 145219375
5-[carboxymethyl(propyl)amino]pyrazine-2-carboxylic acid
CID 122051553
(2-oxo-2-pyrrolidin-1-ylethyl) 6-[ethyl(propyl)amino]pyridine-3-carboxylate
CID 86777162
ethyl 6-[(4-amino-4-sulfanylidenebutan-2-yl)-methylamino]pyridine-3-carboxylate
CID 55173955
ethyl 6-[2-(cyclopropylmethoxy)ethyl-methylamino]pyridine-3-carboxylate
CID 103748767
ethyl 4-[[4-(dipropylamino)pyrimidin-2-yl]amino]benzoate
CID 112901242
N-(2-amino-2-methylpropyl)-6-[ethyl(propyl)amino]pyridine-3-carboxamide
CID 119628032

Frequently Asked Questions

What is the IUPAC name of 2-[(5-ethoxycarbonyl-2-pyridinyl)-propylamino]acetic acid?
The IUPAC name of 2-[(5-ethoxycarbonyl-2-pyridinyl)-propylamino]acetic acid (CID 54898866) is 2-[(5-ethoxycarbonyl-2-pyridinyl)-propylamino]acetic acid.
What is the SMILES notation for 2-[(5-ethoxycarbonyl-2-pyridinyl)-propylamino]acetic acid?
The canonical SMILES for 2-[(5-ethoxycarbonyl-2-pyridinyl)-propylamino]acetic acid is CCCN(CC(=O)O)c1ccc(C(=O)OCC)cn1.
What is the InChIKey of 2-[(5-ethoxycarbonyl-2-pyridinyl)-propylamino]acetic acid?
The InChIKey is KNQHOTSBXVAICQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-3-7-15(9-12(16)17)11-6-5-10(8-14-11)13(18)19-4-2/h5-6,8H,3-4,7,9H2,1-2H3,(H,16,17).
What are the key properties of 2-[(5-ethoxycarbonyl-2-pyridinyl)-propylamino]acetic acid?
2-[(5-ethoxycarbonyl-2-pyridinyl)-propylamino]acetic acid has a molecular weight of 266.30 g/mol, XLogP of 1.56, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-ethoxycarbonyl-2-pyridinyl)-propylamino]acetic acid is sourced from PubChem (CID 54898866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).