3-[(3-ethoxycarbonyl-2-pyridinyl)amino]cyclopentane-1-carboxylic acid

C14H18N2O4 — CID 66032571

IUPAC3-[(3-ethoxycarbonyl-2-pyridinyl)amino]cyclopentane-1-carboxylic acid
SMILESCCOC(=O)c1cccnc1NC1CCC(C(=O)O)C1
InChIInChI=1S/C14H18N2O4/c1-2-20-14(19)11-4-3-7-15-12(11)16-10-6-5-9(8-10)13(17)18/h3-4,7,9-10H,2,5-6,8H2,1H3,(H,15,16)(H,17,18)
InChIKeyNRIWZUOPQAMZSY-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.92
Rot. Bonds5

About 3-[(3-ethoxycarbonyl-2-pyridinyl)amino]cyclopentane-1-carboxylic acid

3-[(3-ethoxycarbonyl-2-pyridinyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 66032571) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 3-[(3-ethoxycarbonyl-2-pyridinyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[(3-ethoxycarbonyl-2-pyridinyl)amino]cyclopentane-1-carboxylic acid
PubChem CID66032571
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name3-[(3-ethoxycarbonyl-2-pyridinyl)amino]cyclopentane-1-carboxylic acid
SMILESCCOC(=O)c1cccnc1NC1CCC(C(=O)O)C1
InChIInChI=1S/C14H18N2O4/c1-2-20-14(19)11-4-3-7-15-12(11)16-10-6-5-9(8-10)13(17)18/h3-4,7,9-10H,2,5-6,8H2,1H3,(H,15,16)(H,17,18)
InChIKeyNRIWZUOPQAMZSY-UHFFFAOYSA-N
XLogP1.92
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[(4-carbamoylcyclohexyl)amino]pyridine-3-carboxylate
CID 61044227
ethyl 2-[(3-aminocyclobutyl)amino]pyridine-3-carboxylate
CID 43599375
ethyl 2-(oxan-3-ylamino)pyridine-3-carboxylate
CID 55188965
4-[(3-ethoxycarbonyl-2-pyridinyl)amino]oxolane-3-carboxylic acid
CID 66241100
ethyl 2-[(1,1-dioxothian-3-yl)amino]pyridine-3-carboxylate
CID 63921994
cis-(1R,3S)-3-[(5-ethoxycarbonyl-2-pyridinyl)amino]cyclopentane-1-carboxylic acid
CID 106322147
methyl 2-[(3-methoxycyclopentyl)amino]pyridine-3-carboxylate
CID 103082179
ethyl 2-[[1-(cyclopentylmethyl)piperidin-4-yl]amino]pyridine-3-carboxylate
CID 133469048
methyl 2-(cyclopropylamino)pyridine-3-carboxylate
CID 60722666
ethyl 2-(cyclobutylmethylamino)pyridine-3-carboxylate
CID 43298774
ethyl 2-hydrazinylpyridine-3-carboxylate;hydrochloride
CID 146675652
ethyl 2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]pyridine-3-carboxylate
CID 106258348

Frequently Asked Questions

What is the IUPAC name of 3-[(3-ethoxycarbonyl-2-pyridinyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 3-[(3-ethoxycarbonyl-2-pyridinyl)amino]cyclopentane-1-carboxylic acid (CID 66032571) is 3-[(3-ethoxycarbonyl-2-pyridinyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-[(3-ethoxycarbonyl-2-pyridinyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-[(3-ethoxycarbonyl-2-pyridinyl)amino]cyclopentane-1-carboxylic acid is CCOC(=O)c1cccnc1NC1CCC(C(=O)O)C1.
What is the InChIKey of 3-[(3-ethoxycarbonyl-2-pyridinyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is NRIWZUOPQAMZSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-2-20-14(19)11-4-3-7-15-12(11)16-10-6-5-9(8-10)13(17)18/h3-4,7,9-10H,2,5-6,8H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 3-[(3-ethoxycarbonyl-2-pyridinyl)amino]cyclopentane-1-carboxylic acid?
3-[(3-ethoxycarbonyl-2-pyridinyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 278.31 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-ethoxycarbonyl-2-pyridinyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 66032571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).