5-amino-2-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]benzoic acid

C16H20N2O3 — CID 63115747

IUPAC5-amino-2-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]benzoic acid
SMILESNc1ccc(NC(=O)CC2CC3CCC2C3)c(C(=O)O)c1
InChIInChI=1S/C16H20N2O3/c17-12-3-4-14(13(8-12)16(20)21)18-15(19)7-11-6-9-1-2-10(11)5-9/h3-4,8-11H,1-2,5-7,17H2,(H,18,19)(H,20,21)
InChIKeyCONORRSAAGOTCS-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.73
Rot. Bonds4

About 5-amino-2-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]benzoic acid

5-amino-2-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]benzoic acid (PubChem CID 63115747) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 5-amino-2-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]benzoic acid.

Molecular Properties

Compound Name5-amino-2-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]benzoic acid
PubChem CID63115747
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name5-amino-2-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]benzoic acid
SMILESNc1ccc(NC(=O)CC2CC3CCC2C3)c(C(=O)O)c1
InChIInChI=1S/C16H20N2O3/c17-12-3-4-14(13(8-12)16(20)21)18-15(19)7-11-6-9-1-2-10(11)5-9/h3-4,8-11H,1-2,5-7,17H2,(H,18,19)(H,20,21)
InChIKeyCONORRSAAGOTCS-UHFFFAOYSA-N
XLogP2.73
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]-5-chlorobenzoic acid
CID 43078867
2-[[2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]acetyl]amino]-4,5-dimethoxybenzoic acid
CID 6359208
2-[[2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]amino]benzamide
CID 98435271
4-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]-3-hydroxybenzoic acid
CID 60825331
N-(2-amino-5-fluorophenyl)-2-(2-bicyclo[2.2.1]heptanyl)acetamide
CID 63256940
3-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]-4-bromobenzoic acid
CID 107812584
N-(5-amino-2,4-difluorophenyl)-2-(2-bicyclo[2.2.1]heptanyl)acetamide
CID 43549853
2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-(2,3,4-trifluorophenyl)acetamide
CID 7769996
2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-(2-bromo-4-methylphenyl)acetamide
CID 11918994
2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-(5-chloro-2-fluorophenyl)acetamide
CID 18557378
2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-(2,4-dimethoxyphenyl)acetamide
CID 18556175
2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(2-pyrrolidin-1-ylphenyl)acetamide
CID 98773906

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]benzoic acid?
The IUPAC name of 5-amino-2-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]benzoic acid (CID 63115747) is 5-amino-2-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]benzoic acid.
What is the SMILES notation for 5-amino-2-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]benzoic acid?
The canonical SMILES for 5-amino-2-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]benzoic acid is Nc1ccc(NC(=O)CC2CC3CCC2C3)c(C(=O)O)c1.
What is the InChIKey of 5-amino-2-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]benzoic acid?
The InChIKey is CONORRSAAGOTCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c17-12-3-4-14(13(8-12)16(20)21)18-15(19)7-11-6-9-1-2-10(11)5-9/h3-4,8-11H,1-2,5-7,17H2,(H,18,19)(H,20,21).
What are the key properties of 5-amino-2-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]benzoic acid?
5-amino-2-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]benzoic acid has a molecular weight of 288.35 g/mol, XLogP of 2.73, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]benzoic acid is sourced from PubChem (CID 63115747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).