3-(phenylcarbamoyl)bicyclo[2.2.1]heptane-2-carboxylic acid

C15H17NO3 — CID 2883110

IUPAC3-(phenylcarbamoyl)bicyclo[2.2.1]heptane-2-carboxylic acid
SMILESO=C(O)C1C2CCC(C2)C1C(=O)Nc1ccccc1
InChIInChI=1S/C15H17NO3/c17-14(16-11-4-2-1-3-5-11)12-9-6-7-10(8-9)13(12)15(18)19/h1-5,9-10,12-13H,6-8H2,(H,16,17)(H,18,19)
InChIKeyGIEVPAJFDYLFCM-UHFFFAOYSA-N
MW259.30 g/mol
LogP2.37
Rot. Bonds3

About 3-(phenylcarbamoyl)bicyclo[2.2.1]heptane-2-carboxylic acid

3-(phenylcarbamoyl)bicyclo[2.2.1]heptane-2-carboxylic acid (PubChem CID 2883110) has the molecular formula C15H17NO3 and a molecular weight of 259.30 g/mol. Its IUPAC name is 3-(phenylcarbamoyl)bicyclo[2.2.1]heptane-2-carboxylic acid.

Molecular Properties

Compound Name3-(phenylcarbamoyl)bicyclo[2.2.1]heptane-2-carboxylic acid
PubChem CID2883110
Molecular FormulaC15H17NO3
Molecular Weight259.30 g/mol
Exact Mass259.12
IUPAC Name3-(phenylcarbamoyl)bicyclo[2.2.1]heptane-2-carboxylic acid
SMILESO=C(O)C1C2CCC(C2)C1C(=O)Nc1ccccc1
InChIInChI=1S/C15H17NO3/c17-14(16-11-4-2-1-3-5-11)12-9-6-7-10(8-9)13(12)15(18)19/h1-5,9-10,12-13H,6-8H2,(H,16,17)(H,18,19)
InChIKeyGIEVPAJFDYLFCM-UHFFFAOYSA-N
XLogP2.37
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-{[4-(Acetylamino)anilino]carbonyl}bicyclo[2.2.1]heptane-2-carboxylic acid
CID 2883143
N-Phenylbicyclo[2.2.1]heptane-2-carboxamide
CID 564627
3-({[3-(Trifluoromethyl)phenyl]amino}carbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 2829240
2-((3,4-Dimethylphenyl)carbamoyl)cyclohexanecarboxylic acid
CID 2732796
3-[(3-Chlorophenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 2829238
2-[(4-Chlorophenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 294983
3-(N-Phenylcarbamoyl)-5-norbornene-2-carboxylic acid
CID 300676
2-[(2-Bromophenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-3-carboxylic acid
CID 2834848
3-[(3-Acetylphenyl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 2883032
3-(4-Acetyl-phenylcarbamoyl)-bicyclo[2.2.1]heptane-2-carboxylic acid
CID 2883042
3-{[(2-Isopropylphenyl)amino]carbonyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 2887075
2-Benzyl-N-(4-fluoro-phenyl)-succinamic acid
CID 3133541

Frequently Asked Questions

What is the IUPAC name of 3-(phenylcarbamoyl)bicyclo[2.2.1]heptane-2-carboxylic acid?
The IUPAC name of 3-(phenylcarbamoyl)bicyclo[2.2.1]heptane-2-carboxylic acid (CID 2883110) is 3-(phenylcarbamoyl)bicyclo[2.2.1]heptane-2-carboxylic acid.
What is the SMILES notation for 3-(phenylcarbamoyl)bicyclo[2.2.1]heptane-2-carboxylic acid?
The canonical SMILES for 3-(phenylcarbamoyl)bicyclo[2.2.1]heptane-2-carboxylic acid is O=C(O)C1C2CCC(C2)C1C(=O)Nc1ccccc1.
What is the InChIKey of 3-(phenylcarbamoyl)bicyclo[2.2.1]heptane-2-carboxylic acid?
The InChIKey is GIEVPAJFDYLFCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c17-14(16-11-4-2-1-3-5-11)12-9-6-7-10(8-9)13(12)15(18)19/h1-5,9-10,12-13H,6-8H2,(H,16,17)(H,18,19).
What are the key properties of 3-(phenylcarbamoyl)bicyclo[2.2.1]heptane-2-carboxylic acid?
3-(phenylcarbamoyl)bicyclo[2.2.1]heptane-2-carboxylic acid has a molecular weight of 259.30 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(phenylcarbamoyl)bicyclo[2.2.1]heptane-2-carboxylic acid is sourced from PubChem (CID 2883110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).