2-[1-[(2-pyridin-4-ylacetyl)amino]cyclohexyl]acetic acid

C15H20N2O3 — CID 64672336

IUPAC2-[1-[(2-pyridin-4-ylacetyl)amino]cyclohexyl]acetic acid
SMILESO=C(O)CC1(NC(=O)Cc2ccncc2)CCCCC1
InChIInChI=1S/C15H20N2O3/c18-13(10-12-4-8-16-9-5-12)17-15(11-14(19)20)6-2-1-3-7-15/h4-5,8-9H,1-3,6-7,10-11H2,(H,17,18)(H,19,20)
InChIKeyQJDQCVLVOCXPCQ-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.92
Rot. Bonds5

About 2-[1-[(2-pyridin-4-ylacetyl)amino]cyclohexyl]acetic acid

2-[1-[(2-pyridin-4-ylacetyl)amino]cyclohexyl]acetic acid (PubChem CID 64672336) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-[1-[(2-pyridin-4-ylacetyl)amino]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(2-pyridin-4-ylacetyl)amino]cyclohexyl]acetic acid
PubChem CID64672336
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name2-[1-[(2-pyridin-4-ylacetyl)amino]cyclohexyl]acetic acid
SMILESO=C(O)CC1(NC(=O)Cc2ccncc2)CCCCC1
InChIInChI=1S/C15H20N2O3/c18-13(10-12-4-8-16-9-5-12)17-15(11-14(19)20)6-2-1-3-7-15/h4-5,8-9H,1-3,6-7,10-11H2,(H,17,18)(H,19,20)
InChIKeyQJDQCVLVOCXPCQ-UHFFFAOYSA-N
XLogP1.92
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.92
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-[(2-phenylacetyl)amino]cyclohexyl]acetic acid
CID 64671959
2-[1-[[2-(4-aminophenyl)acetyl]amino]cyclopentyl]acetic acid
CID 64700742
2-[1-[(2-pyridin-4-ylsulfanylacetyl)amino]cyclohexyl]acetic acid
CID 64671968
2-[1-(pyridin-4-ylamino)cyclopentyl]acetic acid
CID 64701158
2-[1-[[2-(2-methylphenyl)acetyl]amino]cyclopentyl]acetic acid
CID 64670407
2-[1-[[ethyl(pyridin-4-ylmethyl)carbamoyl]amino]cyclobutyl]acetic acid
CID 79842224
N-(1-benzylcyclohexyl)-2-phenylacetamide
CID 84509764
2-[1-[[2-[4-(tetrazol-1-yl)phenyl]acetyl]amino]cyclobutyl]acetic acid
CID 119218102
2-[1-[[2-[1-(methylamino)cyclohexyl]acetyl]amino]cyclopentyl]acetic acid
CID 65241615
2-[1-(pyrimidin-2-ylamino)cyclohexyl]acetic acid
CID 64701184
2-[1-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]cyclobutyl]acetic acid
CID 119217558

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-pyridin-4-ylacetyl)amino]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[(2-pyridin-4-ylacetyl)amino]cyclohexyl]acetic acid (CID 64672336) is 2-[1-[(2-pyridin-4-ylacetyl)amino]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[(2-pyridin-4-ylacetyl)amino]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[(2-pyridin-4-ylacetyl)amino]cyclohexyl]acetic acid is O=C(O)CC1(NC(=O)Cc2ccncc2)CCCCC1.
What is the InChIKey of 2-[1-[(2-pyridin-4-ylacetyl)amino]cyclohexyl]acetic acid?
The InChIKey is QJDQCVLVOCXPCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c18-13(10-12-4-8-16-9-5-12)17-15(11-14(19)20)6-2-1-3-7-15/h4-5,8-9H,1-3,6-7,10-11H2,(H,17,18)(H,19,20).
What are the key properties of 2-[1-[(2-pyridin-4-ylacetyl)amino]cyclohexyl]acetic acid?
2-[1-[(2-pyridin-4-ylacetyl)amino]cyclohexyl]acetic acid has a molecular weight of 276.34 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-pyridin-4-ylacetyl)amino]cyclohexyl]acetic acid is sourced from PubChem (CID 64672336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).