2-[3-[[2-(pyrrolidine-1-carbonyl)cyclohexanecarbonyl]amino]phenyl]acetic acid

C20H26N2O4 — CID 119351907

IUPAC2-[3-[[2-(pyrrolidine-1-carbonyl)cyclohexanecarbonyl]amino]phenyl]acetic acid
SMILESO=C(O)Cc1cccc(NC(=O)C2CCCCC2C(=O)N2CCCC2)c1
InChIInChI=1S/C20H26N2O4/c23-18(24)13-14-6-5-7-15(12-14)21-19(25)16-8-1-2-9-17(16)20(26)22-10-3-4-11-22/h5-7,12,16-17H,1-4,8-11,13H2,(H,21,25)(H,23,24)
InChIKeyFGBBGNOEFITNSF-UHFFFAOYSA-N
MW358.44 g/mol
LogP2.68
Rot. Bonds5

About 2-[3-[[2-(pyrrolidine-1-carbonyl)cyclohexanecarbonyl]amino]phenyl]acetic acid

2-[3-[[2-(pyrrolidine-1-carbonyl)cyclohexanecarbonyl]amino]phenyl]acetic acid (PubChem CID 119351907) has the molecular formula C20H26N2O4 and a molecular weight of 358.44 g/mol. Its IUPAC name is 2-[3-[[2-(pyrrolidine-1-carbonyl)cyclohexanecarbonyl]amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-[[2-(pyrrolidine-1-carbonyl)cyclohexanecarbonyl]amino]phenyl]acetic acid
PubChem CID119351907
Molecular FormulaC20H26N2O4
Molecular Weight358.44 g/mol
Exact Mass358.19
IUPAC Name2-[3-[[2-(pyrrolidine-1-carbonyl)cyclohexanecarbonyl]amino]phenyl]acetic acid
SMILESO=C(O)Cc1cccc(NC(=O)C2CCCCC2C(=O)N2CCCC2)c1
InChIInChI=1S/C20H26N2O4/c23-18(24)13-14-6-5-7-15(12-14)21-19(25)16-8-1-2-9-17(16)20(26)22-10-3-4-11-22/h5-7,12,16-17H,1-4,8-11,13H2,(H,21,25)(H,23,24)
InChIKeyFGBBGNOEFITNSF-UHFFFAOYSA-N
XLogP2.68
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-[(2-cyclohexylcyclopropanecarbonyl)amino]phenyl]acetic acid
CID 119351630
2-[3-(piperidine-2-carbonylamino)phenyl]acetic acid
CID 65350284
2-[3-[[1-(4-methylbenzoyl)piperidine-3-carbonyl]amino]phenyl]acetic acid
CID 119351787
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-[(3-hydroxypiperidine-1-carbonyl)amino]phenyl]acetic acid
CID 65345639
2-[3-[[(2R)-5-oxopyrrolidine-2-carbonyl]amino]phenyl]acetic acid
CID 103803780
2-[3-[(2-methylpiperidine-1-carbonyl)amino]phenyl]acetic acid
CID 65345932
cis-(1R,2S)-2-[(3-ethylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 844851
2-[3-[(4-methylazepane-1-carbonyl)amino]phenyl]acetic acid
CID 65350325
2-[3-[[1-(2-phenoxyacetyl)piperidine-3-carbonyl]amino]phenyl]acetic acid
CID 119352027
cis-(1R,2S)-N-(2-methyl-4-pyridinyl)-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 96526962

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[2-(pyrrolidine-1-carbonyl)cyclohexanecarbonyl]amino]phenyl]acetic acid?
The IUPAC name of 2-[3-[[2-(pyrrolidine-1-carbonyl)cyclohexanecarbonyl]amino]phenyl]acetic acid (CID 119351907) is 2-[3-[[2-(pyrrolidine-1-carbonyl)cyclohexanecarbonyl]amino]phenyl]acetic acid.
What is the SMILES notation for 2-[3-[[2-(pyrrolidine-1-carbonyl)cyclohexanecarbonyl]amino]phenyl]acetic acid?
The canonical SMILES for 2-[3-[[2-(pyrrolidine-1-carbonyl)cyclohexanecarbonyl]amino]phenyl]acetic acid is O=C(O)Cc1cccc(NC(=O)C2CCCCC2C(=O)N2CCCC2)c1.
What is the InChIKey of 2-[3-[[2-(pyrrolidine-1-carbonyl)cyclohexanecarbonyl]amino]phenyl]acetic acid?
The InChIKey is FGBBGNOEFITNSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4/c23-18(24)13-14-6-5-7-15(12-14)21-19(25)16-8-1-2-9-17(16)20(26)22-10-3-4-11-22/h5-7,12,16-17H,1-4,8-11,13H2,(H,21,25)(H,23,24).
What are the key properties of 2-[3-[[2-(pyrrolidine-1-carbonyl)cyclohexanecarbonyl]amino]phenyl]acetic acid?
2-[3-[[2-(pyrrolidine-1-carbonyl)cyclohexanecarbonyl]amino]phenyl]acetic acid has a molecular weight of 358.44 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[2-(pyrrolidine-1-carbonyl)cyclohexanecarbonyl]amino]phenyl]acetic acid is sourced from PubChem (CID 119351907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).