2-[1-(pyridin-4-ylamino)cyclopentyl]acetic acid

C12H16N2O2 — CID 64701158

IUPAC2-[1-(pyridin-4-ylamino)cyclopentyl]acetic acid
SMILESO=C(O)CC1(Nc2ccncc2)CCCC1
InChIInChI=1S/C12H16N2O2/c15-11(16)9-12(5-1-2-6-12)14-10-3-7-13-8-4-10/h3-4,7-8H,1-2,5-6,9H2,(H,13,14)(H,15,16)
InChIKeyVIDGDBONNJCBEH-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.28
Rot. Bonds4

About 2-[1-(pyridin-4-ylamino)cyclopentyl]acetic acid

2-[1-(pyridin-4-ylamino)cyclopentyl]acetic acid (PubChem CID 64701158) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 2-[1-(pyridin-4-ylamino)cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-(pyridin-4-ylamino)cyclopentyl]acetic acid
PubChem CID64701158
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name2-[1-(pyridin-4-ylamino)cyclopentyl]acetic acid
SMILESO=C(O)CC1(Nc2ccncc2)CCCC1
InChIInChI=1S/C12H16N2O2/c15-11(16)9-12(5-1-2-6-12)14-10-3-7-13-8-4-10/h3-4,7-8H,1-2,5-6,9H2,(H,13,14)(H,15,16)
InChIKeyVIDGDBONNJCBEH-UHFFFAOYSA-N
XLogP2.28
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[(2-pyridin-4-ylacetyl)amino]cyclopentyl]acetic acid
CID 64672788
2-[1-(4-cyanoanilino)cyclopentyl]acetic acid
CID 64701364
N-[1-(aminomethyl)cyclopentyl]pyridin-4-amine
CID 63761781
2-[1-[(2-pyridin-4-ylacetyl)amino]cyclohexyl]acetic acid
CID 64672336
1-(pyridin-4-ylamino)cyclohexane-1-carboxylic acid
CID 61290842
2-[1-(pyrimidin-2-ylamino)cyclohexyl]acetic acid
CID 64701184
2-[1-(4-nitroanilino)cyclobutyl]acetic acid
CID 79845223
2-[1-(4-cyanoanilino)cyclobutyl]acetic acid
CID 79845517
2-[1-(pyrazin-2-ylamino)cyclohexyl]acetic acid
CID 64701383
2-[1-[(2-methyl-4-pyridinyl)amino]cyclopropyl]acetic acid
CID 131219428
2-[1-[[2-(dimethylcarbamoyl)-4-pyridinyl]amino]cyclobutyl]acetic acid
CID 79846030
2-[1-[(2-pyridin-4-ylsulfanylacetyl)amino]cyclohexyl]acetic acid
CID 64671968

Frequently Asked Questions

What is the IUPAC name of 2-[1-(pyridin-4-ylamino)cyclopentyl]acetic acid?
The IUPAC name of 2-[1-(pyridin-4-ylamino)cyclopentyl]acetic acid (CID 64701158) is 2-[1-(pyridin-4-ylamino)cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-(pyridin-4-ylamino)cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-(pyridin-4-ylamino)cyclopentyl]acetic acid is O=C(O)CC1(Nc2ccncc2)CCCC1.
What is the InChIKey of 2-[1-(pyridin-4-ylamino)cyclopentyl]acetic acid?
The InChIKey is VIDGDBONNJCBEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c15-11(16)9-12(5-1-2-6-12)14-10-3-7-13-8-4-10/h3-4,7-8H,1-2,5-6,9H2,(H,13,14)(H,15,16).
What are the key properties of 2-[1-(pyridin-4-ylamino)cyclopentyl]acetic acid?
2-[1-(pyridin-4-ylamino)cyclopentyl]acetic acid has a molecular weight of 220.27 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(pyridin-4-ylamino)cyclopentyl]acetic acid is sourced from PubChem (CID 64701158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).