2-[1-[(2-phenylacetyl)amino]cyclohexyl]acetic acid

C16H21NO3 — CID 64671959

IUPAC2-[1-[(2-phenylacetyl)amino]cyclohexyl]acetic acid
SMILESO=C(O)CC1(NC(=O)Cc2ccccc2)CCCCC1
InChIInChI=1S/C16H21NO3/c18-14(11-13-7-3-1-4-8-13)17-16(12-15(19)20)9-5-2-6-10-16/h1,3-4,7-8H,2,5-6,9-12H2,(H,17,18)(H,19,20)
InChIKeyZIYUAYHAGIDUKJ-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.52
Rot. Bonds5

About 2-[1-[(2-phenylacetyl)amino]cyclohexyl]acetic acid

2-[1-[(2-phenylacetyl)amino]cyclohexyl]acetic acid (PubChem CID 64671959) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-[1-[(2-phenylacetyl)amino]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(2-phenylacetyl)amino]cyclohexyl]acetic acid
PubChem CID64671959
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name2-[1-[(2-phenylacetyl)amino]cyclohexyl]acetic acid
SMILESO=C(O)CC1(NC(=O)Cc2ccccc2)CCCCC1
InChIInChI=1S/C16H21NO3/c18-14(11-13-7-3-1-4-8-13)17-16(12-15(19)20)9-5-2-6-10-16/h1,3-4,7-8H,2,5-6,9-12H2,(H,17,18)(H,19,20)
InChIKeyZIYUAYHAGIDUKJ-UHFFFAOYSA-N
XLogP2.52
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[(2-pyridin-4-ylacetyl)amino]cyclohexyl]acetic acid
CID 64672336
2-[1-[[2-(4-aminophenyl)acetyl]amino]cyclopentyl]acetic acid
CID 64700742
N-(1-benzylcyclohexyl)-2-phenylacetamide
CID 84509764
2-[1-[(2-pyridin-4-ylacetyl)amino]cyclopentyl]acetic acid
CID 64672788
2-[1-[[2-(2-methylphenyl)acetyl]amino]cyclopentyl]acetic acid
CID 64670407
2-[1-[(2-phenoxyacetyl)amino]cyclopentyl]acetic acid
CID 64673162
2-[1-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]cyclobutyl]acetic acid
CID 119217558
2-[1-[[2-(2-phenylmethoxyphenoxy)acetyl]amino]cyclobutyl]acetic acid
CID 119217220
N-[1-(aminomethyl)cyclopentyl]-2-(4-phenylphenyl)acetamide
CID 119564798
2-[1-[4-(2-phenylethoxy)butanoylamino]cyclobutyl]acetic acid
CID 119217192
2-[1-[[2-(2-fluorophenyl)sulfanylacetyl]amino]cyclopentyl]acetic acid
CID 64672590
2-[1-[[2-[1-(methylamino)cyclohexyl]acetyl]amino]cyclopentyl]acetic acid
CID 65241615

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-phenylacetyl)amino]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[(2-phenylacetyl)amino]cyclohexyl]acetic acid (CID 64671959) is 2-[1-[(2-phenylacetyl)amino]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[(2-phenylacetyl)amino]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[(2-phenylacetyl)amino]cyclohexyl]acetic acid is O=C(O)CC1(NC(=O)Cc2ccccc2)CCCCC1.
What is the InChIKey of 2-[1-[(2-phenylacetyl)amino]cyclohexyl]acetic acid?
The InChIKey is ZIYUAYHAGIDUKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c18-14(11-13-7-3-1-4-8-13)17-16(12-15(19)20)9-5-2-6-10-16/h1,3-4,7-8H,2,5-6,9-12H2,(H,17,18)(H,19,20).
What are the key properties of 2-[1-[(2-phenylacetyl)amino]cyclohexyl]acetic acid?
2-[1-[(2-phenylacetyl)amino]cyclohexyl]acetic acid has a molecular weight of 275.35 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-phenylacetyl)amino]cyclohexyl]acetic acid is sourced from PubChem (CID 64671959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).