4-(cycloheptylamino)-2-methoxybenzoic acid

C15H21NO3 — CID 107209609

IUPAC4-(cycloheptylamino)-2-methoxybenzoic acid
SMILESCOc1cc(NC2CCCCCC2)ccc1C(=O)O
InChIInChI=1S/C15H21NO3/c1-19-14-10-12(8-9-13(14)15(17)18)16-11-6-4-2-3-5-7-11/h8-11,16H,2-7H2,1H3,(H,17,18)
InChIKeyPPPVMGBJWPADKX-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.53
Rot. Bonds4

About 4-(cycloheptylamino)-2-methoxybenzoic acid

4-(cycloheptylamino)-2-methoxybenzoic acid (PubChem CID 107209609) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 4-(cycloheptylamino)-2-methoxybenzoic acid.

Molecular Properties

Compound Name4-(cycloheptylamino)-2-methoxybenzoic acid
PubChem CID107209609
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name4-(cycloheptylamino)-2-methoxybenzoic acid
SMILESCOc1cc(NC2CCCCCC2)ccc1C(=O)O
InChIInChI=1S/C15H21NO3/c1-19-14-10-12(8-9-13(14)15(17)18)16-11-6-4-2-3-5-7-11/h8-11,16H,2-7H2,1H3,(H,17,18)
InChIKeyPPPVMGBJWPADKX-UHFFFAOYSA-N
XLogP3.53
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(azepan-4-ylamino)-2-methoxybenzamide
CID 23068034
5-(cyclohexylamino)-2-methylbenzoic acid
CID 82932718
4-(bicyclo[4.1.0]heptane-7-carbonylamino)-2-methoxybenzoic acid
CID 107208684
4-(cyclohexylamino)-2-(trifluoromethyl)benzoic acid
CID 62711963
N-(4-bromo-3-methoxyphenyl)cycloheptanamine
CID 82858294
4-N-cyclooctyl-2-methoxybenzene-1,4-diamine
CID 63672291
2-chloro-5-(cyclohexylamino)benzoic acid
CID 43736277
2-amino-5-(cyclooctylamino)benzoic acid
CID 60989029
5-(cyclohexylcarbamoyl)-2,4-dimethoxybenzoic acid
CID 131994752
4-[(cyclopentylamino)methyl]-2-methoxybenzoic acid
CID 117220016
N-(3-fluoro-4-methoxyphenyl)cycloheptanamine
CID 43380636
4-(cyclohexylamino)-2-pentylbenzoic acid
CID 175412341

Frequently Asked Questions

What is the IUPAC name of 4-(cycloheptylamino)-2-methoxybenzoic acid?
The IUPAC name of 4-(cycloheptylamino)-2-methoxybenzoic acid (CID 107209609) is 4-(cycloheptylamino)-2-methoxybenzoic acid.
What is the SMILES notation for 4-(cycloheptylamino)-2-methoxybenzoic acid?
The canonical SMILES for 4-(cycloheptylamino)-2-methoxybenzoic acid is COc1cc(NC2CCCCCC2)ccc1C(=O)O.
What is the InChIKey of 4-(cycloheptylamino)-2-methoxybenzoic acid?
The InChIKey is PPPVMGBJWPADKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-19-14-10-12(8-9-13(14)15(17)18)16-11-6-4-2-3-5-7-11/h8-11,16H,2-7H2,1H3,(H,17,18).
What are the key properties of 4-(cycloheptylamino)-2-methoxybenzoic acid?
4-(cycloheptylamino)-2-methoxybenzoic acid has a molecular weight of 263.34 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cycloheptylamino)-2-methoxybenzoic acid is sourced from PubChem (CID 107209609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).