2-[cyclopentyl(2-pyridin-2-ylethyl)amino]acetic acid

C14H20N2O2 — CID 60892049

IUPAC2-[cyclopentyl(2-pyridin-2-ylethyl)amino]acetic acid
SMILESO=C(O)CN(CCc1ccccn1)C1CCCC1
InChIInChI=1S/C14H20N2O2/c17-14(18)11-16(13-6-1-2-7-13)10-8-12-5-3-4-9-15-12/h3-5,9,13H,1-2,6-8,10-11H2,(H,17,18)
InChIKeyZLBOAPVFVWJKJK-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.95
Rot. Bonds6

About 2-[cyclopentyl(2-pyridin-2-ylethyl)amino]acetic acid

2-[cyclopentyl(2-pyridin-2-ylethyl)amino]acetic acid (PubChem CID 60892049) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-[cyclopentyl(2-pyridin-2-ylethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopentyl(2-pyridin-2-ylethyl)amino]acetic acid
PubChem CID60892049
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-[cyclopentyl(2-pyridin-2-ylethyl)amino]acetic acid
SMILESO=C(O)CN(CCc1ccccn1)C1CCCC1
InChIInChI=1S/C14H20N2O2/c17-14(18)11-16(13-6-1-2-7-13)10-8-12-5-3-4-9-15-12/h3-5,9,13H,1-2,6-8,10-11H2,(H,17,18)
InChIKeyZLBOAPVFVWJKJK-UHFFFAOYSA-N
XLogP1.95
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclopentyl(2-pyridin-2-ylethylsulfonyl)amino]acetic acid
CID 60864750
2-[[(1R,2R)-2-[bis(carboxymethyl)amino]cyclohexyl]-(pyridin-2-ylmethyl)amino]acetic acid
CID 176507613
2-[cyclopentyl-[2-(2-methylpyrazol-3-yl)ethyl]amino]acetic acid
CID 103004720
N'-cyclopentyl-N'-(pyridin-2-ylmethyl)propane-1,3-diamine
CID 43137570
4-[[cyclopropyl(2-pyridin-2-ylethyl)amino]methyl]-N-methylbenzamide
CID 47022569
N-benzyl-N-(pyridin-2-ylmethyl)cyclohexanamine
CID 71881409
4-[[cyclopropyl(2-pyridin-2-ylethyl)amino]methyl]aniline
CID 60892235
N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-[methyl(2-pyridin-2-ylethyl)amino]acetamide
CID 112799744
N-(2-pyridin-2-ylethyl)cyclopentanecarboxamide
CID 110872250
N-cyclohexyl-N-(2-hydroxyethyl)-2-pyridin-2-ylacetamide
CID 54994483
1-N-methyl-1-N-(2-pyridin-2-ylethyl)cyclopentane-1,2-diamine
CID 43211466
2-[cyclopropylmethyl(2-pyridin-2-ylethylsulfonyl)amino]acetic acid
CID 60865091

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl(2-pyridin-2-ylethyl)amino]acetic acid?
The IUPAC name of 2-[cyclopentyl(2-pyridin-2-ylethyl)amino]acetic acid (CID 60892049) is 2-[cyclopentyl(2-pyridin-2-ylethyl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopentyl(2-pyridin-2-ylethyl)amino]acetic acid?
The canonical SMILES for 2-[cyclopentyl(2-pyridin-2-ylethyl)amino]acetic acid is O=C(O)CN(CCc1ccccn1)C1CCCC1.
What is the InChIKey of 2-[cyclopentyl(2-pyridin-2-ylethyl)amino]acetic acid?
The InChIKey is ZLBOAPVFVWJKJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c17-14(18)11-16(13-6-1-2-7-13)10-8-12-5-3-4-9-15-12/h3-5,9,13H,1-2,6-8,10-11H2,(H,17,18).
What are the key properties of 2-[cyclopentyl(2-pyridin-2-ylethyl)amino]acetic acid?
2-[cyclopentyl(2-pyridin-2-ylethyl)amino]acetic acid has a molecular weight of 248.33 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl(2-pyridin-2-ylethyl)amino]acetic acid is sourced from PubChem (CID 60892049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).