2-[[1-(4-propan-2-ylphenyl)cyclopentanecarbonyl]amino]acetic acid

C17H23NO3 — CID 119349974

IUPAC2-[[1-(4-propan-2-ylphenyl)cyclopentanecarbonyl]amino]acetic acid
SMILESCC(C)c1ccc(C2(C(=O)NCC(=O)O)CCCC2)cc1
InChIInChI=1S/C17H23NO3/c1-12(2)13-5-7-14(8-6-13)17(9-3-4-10-17)16(21)18-11-15(19)20/h5-8,12H,3-4,9-11H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyXGXGLFFSJIDWHO-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.82
Rot. Bonds5

About 2-[[1-(4-propan-2-ylphenyl)cyclopentanecarbonyl]amino]acetic acid

2-[[1-(4-propan-2-ylphenyl)cyclopentanecarbonyl]amino]acetic acid (PubChem CID 119349974) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-[[1-(4-propan-2-ylphenyl)cyclopentanecarbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[1-(4-propan-2-ylphenyl)cyclopentanecarbonyl]amino]acetic acid
PubChem CID119349974
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Name2-[[1-(4-propan-2-ylphenyl)cyclopentanecarbonyl]amino]acetic acid
SMILESCC(C)c1ccc(C2(C(=O)NCC(=O)O)CCCC2)cc1
InChIInChI=1S/C17H23NO3/c1-12(2)13-5-7-14(8-6-13)17(9-3-4-10-17)16(21)18-11-15(19)20/h5-8,12H,3-4,9-11H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyXGXGLFFSJIDWHO-UHFFFAOYSA-N
XLogP2.82
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[[1-(4-propan-2-ylphenyl)cyclopentanecarbonyl]amino]propanoic acid
CID 119369696
2-[[1-(4-methylsulfonylphenyl)cyclobutanecarbonyl]amino]acetic acid
CID 122557896
1-(4-chlorophenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]cyclopropane-1-carboxamide
CID 27742660
N-ethyl-1-phenylcyclopentane-1-carboxamide
CID 778764
1-(4-chlorophenyl)-N-ethylcyclohexane-1-carboxamide
CID 118534759
N-(2-chloroprop-2-enyl)-1-phenylcyclopentane-1-carboxamide
CID 115636963
1-(4-chlorophenyl)-N-[(2S)-2-methyl-3-(methylamino)-3-oxopropyl]cyclopentane-1-carboxamide
CID 168737013
3-[[1-(4-methoxyphenyl)cyclopentanecarbonyl]amino]-2-methylpropanoic acid
CID 119237635
2-[[1-(2-methoxyphenyl)cyclopentanecarbonyl]amino]acetic acid
CID 110466240
1-(4-bromophenyl)-N-[2-(ethylamino)-2-oxoethyl]cyclopentane-1-carboxamide
CID 86920161
2-[[1-(3-fluorophenyl)cyclobutanecarbonyl]amino]acetic acid
CID 119171698
2-methyl-3-[(1-phenylcyclobutanecarbonyl)amino]propanoic acid
CID 55105160

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(4-propan-2-ylphenyl)cyclopentanecarbonyl]amino]acetic acid?
The IUPAC name of 2-[[1-(4-propan-2-ylphenyl)cyclopentanecarbonyl]amino]acetic acid (CID 119349974) is 2-[[1-(4-propan-2-ylphenyl)cyclopentanecarbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[1-(4-propan-2-ylphenyl)cyclopentanecarbonyl]amino]acetic acid?
The canonical SMILES for 2-[[1-(4-propan-2-ylphenyl)cyclopentanecarbonyl]amino]acetic acid is CC(C)c1ccc(C2(C(=O)NCC(=O)O)CCCC2)cc1.
What is the InChIKey of 2-[[1-(4-propan-2-ylphenyl)cyclopentanecarbonyl]amino]acetic acid?
The InChIKey is XGXGLFFSJIDWHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-12(2)13-5-7-14(8-6-13)17(9-3-4-10-17)16(21)18-11-15(19)20/h5-8,12H,3-4,9-11H2,1-2H3,(H,18,21)(H,19,20).
What are the key properties of 2-[[1-(4-propan-2-ylphenyl)cyclopentanecarbonyl]amino]acetic acid?
2-[[1-(4-propan-2-ylphenyl)cyclopentanecarbonyl]amino]acetic acid has a molecular weight of 289.38 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(4-propan-2-ylphenyl)cyclopentanecarbonyl]amino]acetic acid is sourced from PubChem (CID 119349974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).