2-[(2-cycloheptylacetyl)amino]benzoic acid

C16H21NO3 — CID 114457097

IUPAC2-[(2-cycloheptylacetyl)amino]benzoic acid
SMILESO=C(CC1CCCCCC1)Nc1ccccc1C(=O)O
InChIInChI=1S/C16H21NO3/c18-15(11-12-7-3-1-2-4-8-12)17-14-10-6-5-9-13(14)16(19)20/h5-6,9-10,12H,1-4,7-8,11H2,(H,17,18)(H,19,20)
InChIKeyAIGYLPPQEAEOKE-UHFFFAOYSA-N
MW275.35 g/mol
LogP3.68
Rot. Bonds4

About 2-[(2-cycloheptylacetyl)amino]benzoic acid

2-[(2-cycloheptylacetyl)amino]benzoic acid (PubChem CID 114457097) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-[(2-cycloheptylacetyl)amino]benzoic acid.

Molecular Properties

Compound Name2-[(2-cycloheptylacetyl)amino]benzoic acid
PubChem CID114457097
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name2-[(2-cycloheptylacetyl)amino]benzoic acid
SMILESO=C(CC1CCCCCC1)Nc1ccccc1C(=O)O
InChIInChI=1S/C16H21NO3/c18-15(11-12-7-3-1-2-4-8-12)17-14-10-6-5-9-13(14)16(19)20/h5-6,9-10,12H,1-4,7-8,11H2,(H,17,18)(H,19,20)
InChIKeyAIGYLPPQEAEOKE-UHFFFAOYSA-N
XLogP3.68
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-cyclohexylacetyl)amino]-N-cyclopropylbenzamide
CID 34280929
2-cyclohexyl-N-(2-phenylphenyl)acetamide
CID 1317156
N-(2-aminoethyl)-2-[(2-cycloheptylacetyl)amino]benzamide
CID 120604092
2-[(2-cyclopentylacetyl)amino]-5-iodobenzoic acid
CID 45345832
N-(2-bromophenyl)-2-cyclopentylacetamide
CID 24707693
2-[(2-cycloheptylacetyl)amino]-3-fluorobenzoic acid
CID 114457210
N-(2-aminophenyl)-2-cyclopentylacetamide;hydrochloride
CID 119259903
2-cyclohexyl-N-(2-methoxyphenyl)acetamide
CID 880879
2-(cycloheptanecarbonylamino)benzoic acid
CID 55091870
2-cyclobutyl-N-(2-iodophenyl)acetamide
CID 103706273
2-cyano-N-[2-[(2-cyclopentylacetyl)amino]phenyl]acetamide
CID 108923007
2-cyclopentyl-N-[2-(pyrrolidin-1-ylmethyl)phenyl]acetamide
CID 71896430

Frequently Asked Questions

What is the IUPAC name of 2-[(2-cycloheptylacetyl)amino]benzoic acid?
The IUPAC name of 2-[(2-cycloheptylacetyl)amino]benzoic acid (CID 114457097) is 2-[(2-cycloheptylacetyl)amino]benzoic acid.
What is the SMILES notation for 2-[(2-cycloheptylacetyl)amino]benzoic acid?
The canonical SMILES for 2-[(2-cycloheptylacetyl)amino]benzoic acid is O=C(CC1CCCCCC1)Nc1ccccc1C(=O)O.
What is the InChIKey of 2-[(2-cycloheptylacetyl)amino]benzoic acid?
The InChIKey is AIGYLPPQEAEOKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c18-15(11-12-7-3-1-2-4-8-12)17-14-10-6-5-9-13(14)16(19)20/h5-6,9-10,12H,1-4,7-8,11H2,(H,17,18)(H,19,20).
What are the key properties of 2-[(2-cycloheptylacetyl)amino]benzoic acid?
2-[(2-cycloheptylacetyl)amino]benzoic acid has a molecular weight of 275.35 g/mol, XLogP of 3.68, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cycloheptylacetyl)amino]benzoic acid is sourced from PubChem (CID 114457097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).