5-amino-2-(cycloheptanecarbonylamino)benzoic acid

C15H20N2O3 — CID 63116326

IUPAC5-amino-2-(cycloheptanecarbonylamino)benzoic acid
SMILESNc1ccc(NC(=O)C2CCCCCC2)c(C(=O)O)c1
InChIInChI=1S/C15H20N2O3/c16-11-7-8-13(12(9-11)15(19)20)17-14(18)10-5-3-1-2-4-6-10/h7-10H,1-6,16H2,(H,17,18)(H,19,20)
InChIKeyLCIOYUOMALWZDA-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.88
Rot. Bonds3

About 5-amino-2-(cycloheptanecarbonylamino)benzoic acid

5-amino-2-(cycloheptanecarbonylamino)benzoic acid (PubChem CID 63116326) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 5-amino-2-(cycloheptanecarbonylamino)benzoic acid.

Molecular Properties

Compound Name5-amino-2-(cycloheptanecarbonylamino)benzoic acid
PubChem CID63116326
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name5-amino-2-(cycloheptanecarbonylamino)benzoic acid
SMILESNc1ccc(NC(=O)C2CCCCCC2)c(C(=O)O)c1
InChIInChI=1S/C15H20N2O3/c16-11-7-8-13(12(9-11)15(19)20)17-14(18)10-5-3-1-2-4-6-10/h7-10H,1-6,16H2,(H,17,18)(H,19,20)
InChIKeyLCIOYUOMALWZDA-UHFFFAOYSA-N
XLogP2.88
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.88
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

4-amino-2-(cyclooctanecarbonylamino)benzoic acid
CID 65019508
N-(4-amino-2-hydroxyphenyl)cyclohexanecarboxamide
CID 53338609
5-bromo-2-(cycloheptanecarbonylamino)benzoic acid
CID 63405295
N-(4-amino-2-bromophenyl)cyclohexanecarboxamide
CID 1133414
5-bromo-2-(cyclopentanecarbonylamino)benzoic acid
CID 45434105
N-(4-amino-2-methylphenyl)cycloheptanecarboxamide
CID 55091677
2-(cycloheptanecarbonylamino)benzoic acid
CID 55091870
5-chloro-2-(cyclobutanecarbonylamino)benzoic acid
CID 16775751
2-(cyclopentanecarbonylamino)-5-nitrobenzoic acid
CID 16771086
N-(4-amino-2-cyanophenyl)cyclohexanecarboxamide
CID 43548995
5-amino-2-(1-cyclohexylethylamino)benzoic acid
CID 62407430
2-amino-5-hydroxybenzoic acid;2-(cyclopropanecarbonylamino)-5-hydroxybenzoic acid
CID 159148469

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(cycloheptanecarbonylamino)benzoic acid?
The IUPAC name of 5-amino-2-(cycloheptanecarbonylamino)benzoic acid (CID 63116326) is 5-amino-2-(cycloheptanecarbonylamino)benzoic acid.
What is the SMILES notation for 5-amino-2-(cycloheptanecarbonylamino)benzoic acid?
The canonical SMILES for 5-amino-2-(cycloheptanecarbonylamino)benzoic acid is Nc1ccc(NC(=O)C2CCCCCC2)c(C(=O)O)c1.
What is the InChIKey of 5-amino-2-(cycloheptanecarbonylamino)benzoic acid?
The InChIKey is LCIOYUOMALWZDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c16-11-7-8-13(12(9-11)15(19)20)17-14(18)10-5-3-1-2-4-6-10/h7-10H,1-6,16H2,(H,17,18)(H,19,20).
What are the key properties of 5-amino-2-(cycloheptanecarbonylamino)benzoic acid?
5-amino-2-(cycloheptanecarbonylamino)benzoic acid has a molecular weight of 276.34 g/mol, XLogP of 2.88, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(cycloheptanecarbonylamino)benzoic acid is sourced from PubChem (CID 63116326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).