3-[(3-phenyl-2,5-dihydropyrrole-1-carbonyl)amino]bicyclo[1.1.1]pentane-1-carboxylic acid

C17H18N2O3 — CID 166261115

IUPAC3-[(3-phenyl-2,5-dihydropyrrole-1-carbonyl)amino]bicyclo[1.1.1]pentane-1-carboxylic acid
SMILESO=C(NC12CC(C(=O)O)(C1)C2)N1CC=C(c2ccccc2)C1
InChIInChI=1S/C17H18N2O3/c20-14(21)16-9-17(10-16,11-16)18-15(22)19-7-6-13(8-19)12-4-2-1-3-5-12/h1-6H,7-11H2,(H,18,22)(H,20,21)
InChIKeyRNZLWFIFEOCEOY-UHFFFAOYSA-N
MW298.34 g/mol
LogP2.10
Rot. Bonds3

About 3-[(3-phenyl-2,5-dihydropyrrole-1-carbonyl)amino]bicyclo[1.1.1]pentane-1-carboxylic acid

3-[(3-phenyl-2,5-dihydropyrrole-1-carbonyl)amino]bicyclo[1.1.1]pentane-1-carboxylic acid (PubChem CID 166261115) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is 3-[(3-phenyl-2,5-dihydropyrrole-1-carbonyl)amino]bicyclo[1.1.1]pentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[(3-phenyl-2,5-dihydropyrrole-1-carbonyl)amino]bicyclo[1.1.1]pentane-1-carboxylic acid
PubChem CID166261115
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Name3-[(3-phenyl-2,5-dihydropyrrole-1-carbonyl)amino]bicyclo[1.1.1]pentane-1-carboxylic acid
SMILESO=C(NC12CC(C(=O)O)(C1)C2)N1CC=C(c2ccccc2)C1
InChIInChI=1S/C17H18N2O3/c20-14(21)16-9-17(10-16,11-16)18-15(22)19-7-6-13(8-19)12-4-2-1-3-5-12/h1-6H,7-11H2,(H,18,22)(H,20,21)
InChIKeyRNZLWFIFEOCEOY-UHFFFAOYSA-N
XLogP2.10
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-fluorophenyl)-3-phenyl-2,5-dihydropyrrole-1-carboxamide
CID 75401002
[1-(4-chlorophenyl)cyclopropyl]-(3-phenyl-2,5-dihydropyrrol-1-yl)methanone
CID 66662142
3-phenyl-N-(pyridin-3-ylmethyl)-2,5-dihydropyrrole-1-carboxamide
CID 166204346
tert-butyl 3-phenyl-2,5-dihydropyrrole-1-carboxylate
CID 58641264
N-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-3-phenyl-2,5-dihydropyrrole-1-carboxamide
CID 166229604
(4-chloro-1H-pyrrol-2-yl)-(3-phenyl-2,5-dihydropyrrol-1-yl)methanone
CID 167843808
(4-chloro-1-methylpyrrol-2-yl)-(3-phenyl-2,5-dihydropyrrol-1-yl)methanone
CID 167748506
N,5-dihydroxy-2-(3-phenyl-2,5-dihydropyrrole-1-carbonyl)cyclohexane-1-carboxamide
CID 72816020
2,4-dimethyl-5-(3-phenyl-2,5-dihydropyrrole-1-carbonyl)-1H-pyrrole-3-sulfonamide
CID 166205095
3-methyl-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)but-2-en-1-one
CID 122176819
(5-chloro-4-methyl-3-pyridinyl)-(3-phenyl-2,5-dihydropyrrol-1-yl)methanone
CID 167974884
benzyl 3-(4-chlorophenyl)-2,5-dihydropyrrole-1-carboxylate
CID 11507904

Frequently Asked Questions

What is the IUPAC name of 3-[(3-phenyl-2,5-dihydropyrrole-1-carbonyl)amino]bicyclo[1.1.1]pentane-1-carboxylic acid?
The IUPAC name of 3-[(3-phenyl-2,5-dihydropyrrole-1-carbonyl)amino]bicyclo[1.1.1]pentane-1-carboxylic acid (CID 166261115) is 3-[(3-phenyl-2,5-dihydropyrrole-1-carbonyl)amino]bicyclo[1.1.1]pentane-1-carboxylic acid.
What is the SMILES notation for 3-[(3-phenyl-2,5-dihydropyrrole-1-carbonyl)amino]bicyclo[1.1.1]pentane-1-carboxylic acid?
The canonical SMILES for 3-[(3-phenyl-2,5-dihydropyrrole-1-carbonyl)amino]bicyclo[1.1.1]pentane-1-carboxylic acid is O=C(NC12CC(C(=O)O)(C1)C2)N1CC=C(c2ccccc2)C1.
What is the InChIKey of 3-[(3-phenyl-2,5-dihydropyrrole-1-carbonyl)amino]bicyclo[1.1.1]pentane-1-carboxylic acid?
The InChIKey is RNZLWFIFEOCEOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c20-14(21)16-9-17(10-16,11-16)18-15(22)19-7-6-13(8-19)12-4-2-1-3-5-12/h1-6H,7-11H2,(H,18,22)(H,20,21).
What are the key properties of 3-[(3-phenyl-2,5-dihydropyrrole-1-carbonyl)amino]bicyclo[1.1.1]pentane-1-carboxylic acid?
3-[(3-phenyl-2,5-dihydropyrrole-1-carbonyl)amino]bicyclo[1.1.1]pentane-1-carboxylic acid has a molecular weight of 298.34 g/mol, XLogP of 2.10, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-phenyl-2,5-dihydropyrrole-1-carbonyl)amino]bicyclo[1.1.1]pentane-1-carboxylic acid is sourced from PubChem (CID 166261115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).