2-[(2-methoxycarbonyl-4-pyridinyl)amino]cyclopentane-1-carboxylic acid

C13H16N2O4 — CID 66287399

IUPAC2-[(2-methoxycarbonyl-4-pyridinyl)amino]cyclopentane-1-carboxylic acid
SMILESCOC(=O)c1cc(NC2CCCC2C(=O)O)ccn1
InChIInChI=1S/C13H16N2O4/c1-19-13(18)11-7-8(5-6-14-11)15-10-4-2-3-9(10)12(16)17/h5-7,9-10H,2-4H2,1H3,(H,14,15)(H,16,17)
InChIKeyCMDVATYIZFHFFD-UHFFFAOYSA-N
MW264.28 g/mol
LogP1.53
Rot. Bonds4

About 2-[(2-methoxycarbonyl-4-pyridinyl)amino]cyclopentane-1-carboxylic acid

2-[(2-methoxycarbonyl-4-pyridinyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 66287399) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is 2-[(2-methoxycarbonyl-4-pyridinyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(2-methoxycarbonyl-4-pyridinyl)amino]cyclopentane-1-carboxylic acid
PubChem CID66287399
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name2-[(2-methoxycarbonyl-4-pyridinyl)amino]cyclopentane-1-carboxylic acid
SMILESCOC(=O)c1cc(NC2CCCC2C(=O)O)ccn1
InChIInChI=1S/C13H16N2O4/c1-19-13(18)11-7-8(5-6-14-11)15-10-4-2-3-9(10)12(16)17/h5-7,9-10H,2-4H2,1H3,(H,14,15)(H,16,17)
InChIKeyCMDVATYIZFHFFD-UHFFFAOYSA-N
XLogP1.53
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
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

2-[[2-(ethylcarbamoyl)-4-pyridinyl]amino]cyclopentane-1-carboxylic acid
CID 64816659
methyl 4-[[4-(methylamino)cyclohexyl]amino]pyridine-2-carboxylate
CID 79110249
methyl 4-[(3-ethylcyclohexyl)amino]pyridine-2-carboxylate
CID 66287289
2-(4-hydroxyanilino)cyclopentane-1-carboxylic acid
CID 84724767
cis-(1R,2S)-2-(pyrimidin-2-ylamino)cyclopentane-1-carboxylic acid
CID 164653891
methyl 4-[2-(cycloheptylamino)ethylamino]pyridine-2-carboxylate
CID 115306769
methyl 4-(piperidin-2-ylmethylamino)pyridine-2-carboxylate
CID 66285496
4-[[2-(dimethylcarbamoyl)-4-pyridinyl]amino]oxolane-3-carboxylic acid
CID 66241308
N,N-diethyl-4-[(2-methylcyclohexyl)amino]pyridine-2-carboxamide
CID 43395278
cis-(1S,2R)-2-[(2-propan-2-ylpyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid
CID 138024213
methyl 4-(piperidin-4-ylmethylamino)pyridine-2-carboxylate
CID 66285903
4-[(2-methoxycarbonyl-4-pyridinyl)amino]benzoic acid
CID 66288598

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxycarbonyl-4-pyridinyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[(2-methoxycarbonyl-4-pyridinyl)amino]cyclopentane-1-carboxylic acid (CID 66287399) is 2-[(2-methoxycarbonyl-4-pyridinyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[(2-methoxycarbonyl-4-pyridinyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[(2-methoxycarbonyl-4-pyridinyl)amino]cyclopentane-1-carboxylic acid is COC(=O)c1cc(NC2CCCC2C(=O)O)ccn1.
What is the InChIKey of 2-[(2-methoxycarbonyl-4-pyridinyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is CMDVATYIZFHFFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c1-19-13(18)11-7-8(5-6-14-11)15-10-4-2-3-9(10)12(16)17/h5-7,9-10H,2-4H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 2-[(2-methoxycarbonyl-4-pyridinyl)amino]cyclopentane-1-carboxylic acid?
2-[(2-methoxycarbonyl-4-pyridinyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 264.28 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxycarbonyl-4-pyridinyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 66287399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).