2-[3-[(2-cyclohexylcyclopropanecarbonyl)amino]phenyl]acetic acid

C18H23NO3 — CID 119351630

IUPAC2-[3-[(2-cyclohexylcyclopropanecarbonyl)amino]phenyl]acetic acid
SMILESO=C(O)Cc1cccc(NC(=O)C2CC2C2CCCCC2)c1
InChIInChI=1S/C18H23NO3/c20-17(21)10-12-5-4-8-14(9-12)19-18(22)16-11-15(16)13-6-2-1-3-7-13/h4-5,8-9,13,15-16H,1-3,6-7,10-11H2,(H,19,22)(H,20,21)
InChIKeyZGEPTISWPHQNKB-UHFFFAOYSA-N
MW301.39 g/mol
LogP3.47
Rot. Bonds5

About 2-[3-[(2-cyclohexylcyclopropanecarbonyl)amino]phenyl]acetic acid

2-[3-[(2-cyclohexylcyclopropanecarbonyl)amino]phenyl]acetic acid (PubChem CID 119351630) has the molecular formula C18H23NO3 and a molecular weight of 301.39 g/mol. Its IUPAC name is 2-[3-[(2-cyclohexylcyclopropanecarbonyl)amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-[(2-cyclohexylcyclopropanecarbonyl)amino]phenyl]acetic acid
PubChem CID119351630
Molecular FormulaC18H23NO3
Molecular Weight301.39 g/mol
Exact Mass301.17
IUPAC Name2-[3-[(2-cyclohexylcyclopropanecarbonyl)amino]phenyl]acetic acid
SMILESO=C(O)Cc1cccc(NC(=O)C2CC2C2CCCCC2)c1
InChIInChI=1S/C18H23NO3/c20-17(21)10-12-5-4-8-14(9-12)19-18(22)16-11-15(16)13-6-2-1-3-7-13/h4-5,8-9,13,15-16H,1-3,6-7,10-11H2,(H,19,22)(H,20,21)
InChIKeyZGEPTISWPHQNKB-UHFFFAOYSA-N
XLogP3.47
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-[(2-cyclopropylcyclopropanecarbonyl)amino]phenyl]acetic acid
CID 75482501
2-[3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carbonylamino)phenyl]acetic acid
CID 120530686
2-[3-[[2-(pyrrolidine-1-carbonyl)cyclohexanecarbonyl]amino]phenyl]acetic acid
CID 119351907
2-[3-(piperidine-2-carbonylamino)phenyl]acetic acid
CID 65350284
N-[3-[[[(1R,2S)-2-cyclopropylcyclopropanecarbonyl]amino]methyl]phenyl]cyclobutanecarboxamide
CID 97011516
N-[3-(2-aminoethylsulfamoyl)phenyl]-2-cyclohexylcyclopropane-1-carboxamide
CID 119465253
2-[3-[(4-aminooxolane-3-carbonyl)amino]phenyl]acetic acid
CID 66237312
2-[3-[[3-(trifluoromethyl)cyclohexanecarbonyl]amino]phenyl]acetic acid
CID 119352029
2-[3-(cyclohexylsulfonylamino)phenyl]acetic acid
CID 65345488
2-[3-[[(2R)-5-oxopyrrolidine-2-carbonyl]amino]phenyl]acetic acid
CID 103803780
cis-(1R,2S)-2-[(3-ethylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 844851
2-[3-[(2-oxo-1,3-thiazolidine-4-carbonyl)amino]phenyl]acetic acid
CID 65346582

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2-cyclohexylcyclopropanecarbonyl)amino]phenyl]acetic acid?
The IUPAC name of 2-[3-[(2-cyclohexylcyclopropanecarbonyl)amino]phenyl]acetic acid (CID 119351630) is 2-[3-[(2-cyclohexylcyclopropanecarbonyl)amino]phenyl]acetic acid.
What is the SMILES notation for 2-[3-[(2-cyclohexylcyclopropanecarbonyl)amino]phenyl]acetic acid?
The canonical SMILES for 2-[3-[(2-cyclohexylcyclopropanecarbonyl)amino]phenyl]acetic acid is O=C(O)Cc1cccc(NC(=O)C2CC2C2CCCCC2)c1.
What is the InChIKey of 2-[3-[(2-cyclohexylcyclopropanecarbonyl)amino]phenyl]acetic acid?
The InChIKey is ZGEPTISWPHQNKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO3/c20-17(21)10-12-5-4-8-14(9-12)19-18(22)16-11-15(16)13-6-2-1-3-7-13/h4-5,8-9,13,15-16H,1-3,6-7,10-11H2,(H,19,22)(H,20,21).
What are the key properties of 2-[3-[(2-cyclohexylcyclopropanecarbonyl)amino]phenyl]acetic acid?
2-[3-[(2-cyclohexylcyclopropanecarbonyl)amino]phenyl]acetic acid has a molecular weight of 301.39 g/mol, XLogP of 3.47, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2-cyclohexylcyclopropanecarbonyl)amino]phenyl]acetic acid is sourced from PubChem (CID 119351630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).