2-[(2-cycloheptylacetyl)amino]-2-phenylacetic acid

C17H23NO3 — CID 115909766

IUPAC2-[(2-cycloheptylacetyl)amino]-2-phenylacetic acid
SMILESO=C(CC1CCCCCC1)NC(C(=O)O)c1ccccc1
InChIInChI=1S/C17H23NO3/c19-15(12-13-8-4-1-2-5-9-13)18-16(17(20)21)14-10-6-3-7-11-14/h3,6-7,10-11,13,16H,1-2,4-5,8-9,12H2,(H,18,19)(H,20,21)
InChIKeyGSUJKEXYBOTGLH-UHFFFAOYSA-N
MW289.37 g/mol
LogP3.29
Rot. Bonds5

About 2-[(2-cycloheptylacetyl)amino]-2-phenylacetic acid

2-[(2-cycloheptylacetyl)amino]-2-phenylacetic acid (PubChem CID 115909766) has the molecular formula C17H23NO3 and a molecular weight of 289.37 g/mol. Its IUPAC name is 2-[(2-cycloheptylacetyl)amino]-2-phenylacetic acid.

Molecular Properties

Compound Name2-[(2-cycloheptylacetyl)amino]-2-phenylacetic acid
PubChem CID115909766
Molecular FormulaC17H23NO3
Molecular Weight289.37 g/mol
Exact Mass289.17
IUPAC Name2-[(2-cycloheptylacetyl)amino]-2-phenylacetic acid
SMILESO=C(CC1CCCCCC1)NC(C(=O)O)c1ccccc1
InChIInChI=1S/C17H23NO3/c19-15(12-13-8-4-1-2-5-9-13)18-16(17(20)21)14-10-6-3-7-11-14/h3,6-7,10-11,13,16H,1-2,4-5,8-9,12H2,(H,18,19)(H,20,21)
InChIKeyGSUJKEXYBOTGLH-UHFFFAOYSA-N
XLogP3.29
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[[2-(azetidin-3-yl)acetyl]amino]-2-phenylacetic acid
CID 104898572
(2S)-2-phenyl-2-[(2-pyrrolidin-3-ylacetyl)amino]acetic acid
CID 104898505
(2R)-2-(cyclohexylmethylcarbamoylamino)-2-phenylacetic acid
CID 61197265
2-[(2-cyclopentylacetyl)amino]-2-thiophen-2-ylacetic acid
CID 113278582
N-(2-amino-1-phenylethyl)-2-cyclopentylacetamide
CID 63755039
(2S)-2-[[2-(oxolan-2-yl)acetyl]amino]-2-phenylacetic acid
CID 103804697
(2R)-2-[[2-(oxolan-2-yl)acetyl]amino]-2-phenylacetic acid
CID 65156988
(2S)-2-[[2-[(2S)-oxolan-2-yl]acetyl]amino]-2-phenylacetic acid
CID 124559457
(2R)-2-(cyclooctanecarbonylamino)-2-phenylacetic acid
CID 65018923
2-[(2-cyclobutylacetyl)amino]-2-thiophen-2-ylacetic acid
CID 103162098
(2S)-2-(2-cyclopentylethylcarbamoylamino)-2-phenylacetic acid
CID 103995518
2-cyclohexyl-N-[phenyl(thiophen-2-yl)methyl]acetamide
CID 46565052

Frequently Asked Questions

What is the IUPAC name of 2-[(2-cycloheptylacetyl)amino]-2-phenylacetic acid?
The IUPAC name of 2-[(2-cycloheptylacetyl)amino]-2-phenylacetic acid (CID 115909766) is 2-[(2-cycloheptylacetyl)amino]-2-phenylacetic acid.
What is the SMILES notation for 2-[(2-cycloheptylacetyl)amino]-2-phenylacetic acid?
The canonical SMILES for 2-[(2-cycloheptylacetyl)amino]-2-phenylacetic acid is O=C(CC1CCCCCC1)NC(C(=O)O)c1ccccc1.
What is the InChIKey of 2-[(2-cycloheptylacetyl)amino]-2-phenylacetic acid?
The InChIKey is GSUJKEXYBOTGLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c19-15(12-13-8-4-1-2-5-9-13)18-16(17(20)21)14-10-6-3-7-11-14/h3,6-7,10-11,13,16H,1-2,4-5,8-9,12H2,(H,18,19)(H,20,21).
What are the key properties of 2-[(2-cycloheptylacetyl)amino]-2-phenylacetic acid?
2-[(2-cycloheptylacetyl)amino]-2-phenylacetic acid has a molecular weight of 289.37 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cycloheptylacetyl)amino]-2-phenylacetic acid is sourced from PubChem (CID 115909766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).