2-[(1-phenylcyclopropyl)amino]benzoic acid

C16H15NO2 — CID 82538368

IUPAC2-[(1-phenylcyclopropyl)amino]benzoic acid
SMILESO=C(O)c1ccccc1NC1(c2ccccc2)CC1
InChIInChI=1S/C16H15NO2/c18-15(19)13-8-4-5-9-14(13)17-16(10-11-16)12-6-2-1-3-7-12/h1-9,17H,10-11H2,(H,18,19)
InChIKeyLQPASJCZYWWUJN-UHFFFAOYSA-N
MW253.30 g/mol
LogP3.49
Rot. Bonds4

About 2-[(1-phenylcyclopropyl)amino]benzoic acid

2-[(1-phenylcyclopropyl)amino]benzoic acid (PubChem CID 82538368) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-[(1-phenylcyclopropyl)amino]benzoic acid.

Molecular Properties

Compound Name2-[(1-phenylcyclopropyl)amino]benzoic acid
PubChem CID82538368
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Name2-[(1-phenylcyclopropyl)amino]benzoic acid
SMILESO=C(O)c1ccccc1NC1(c2ccccc2)CC1
InChIInChI=1S/C16H15NO2/c18-15(19)13-8-4-5-9-14(13)17-16(10-11-16)12-6-2-1-3-7-12/h1-9,17H,10-11H2,(H,18,19)
InChIKeyLQPASJCZYWWUJN-UHFFFAOYSA-N
XLogP3.49
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-5-[(1-phenylcyclopropyl)amino]benzoic acid
CID 82538354
2-hydroxy-N-(1-phenylcyclopropyl)benzamide
CID 110485071
2-anilinobenzoic acid;N-phenylaniline
CID 68732454
CID 66717184
CID 66717184
N,N'-bis(1-phenylcyclopropyl)propanediamide
CID 166301287
4-hydroxy-2-[(1-phenylcyclopropyl)amino]furan-3-carboxylic acid
CID 57180481
3-fluoro-5-[(1-phenylcyclopropyl)amino]benzoic acid
CID 82538352
2-hydrazinylbenzoic acid;hydron;chloride
CID 51064113
N-hydroxy-4-[(1-phenylcyclopropyl)amino]benzamide
CID 134492107
4-[(1-phenylcyclopropyl)amino]-6-(propanoylamino)pyridine-3-carboxamide
CID 123139569
2-(2-carboxyanilino)benzoic acid;methylsulfanylmethane
CID 144550401
CID 170843062
CID 170843062

Frequently Asked Questions

What is the IUPAC name of 2-[(1-phenylcyclopropyl)amino]benzoic acid?
The IUPAC name of 2-[(1-phenylcyclopropyl)amino]benzoic acid (CID 82538368) is 2-[(1-phenylcyclopropyl)amino]benzoic acid.
What is the SMILES notation for 2-[(1-phenylcyclopropyl)amino]benzoic acid?
The canonical SMILES for 2-[(1-phenylcyclopropyl)amino]benzoic acid is O=C(O)c1ccccc1NC1(c2ccccc2)CC1.
What is the InChIKey of 2-[(1-phenylcyclopropyl)amino]benzoic acid?
The InChIKey is LQPASJCZYWWUJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2/c18-15(19)13-8-4-5-9-14(13)17-16(10-11-16)12-6-2-1-3-7-12/h1-9,17H,10-11H2,(H,18,19).
What are the key properties of 2-[(1-phenylcyclopropyl)amino]benzoic acid?
2-[(1-phenylcyclopropyl)amino]benzoic acid has a molecular weight of 253.30 g/mol, XLogP of 3.49, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-phenylcyclopropyl)amino]benzoic acid is sourced from PubChem (CID 82538368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).