5-(1-aminocyclopentyl)-2,3-dimethoxybenzoic acid

C14H19NO4 — CID 117416999

IUPAC5-(1-aminocyclopentyl)-2,3-dimethoxybenzoic acid
SMILESCOc1cc(C2(N)CCCC2)cc(C(=O)O)c1OC
InChIInChI=1S/C14H19NO4/c1-18-11-8-9(14(15)5-3-4-6-14)7-10(13(16)17)12(11)19-2/h7-8H,3-6,15H2,1-2H3,(H,16,17)
InChIKeyJHHPEOFHIVWOEM-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.13
Rot. Bonds4

About 5-(1-aminocyclopentyl)-2,3-dimethoxybenzoic acid

5-(1-aminocyclopentyl)-2,3-dimethoxybenzoic acid (PubChem CID 117416999) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 5-(1-aminocyclopentyl)-2,3-dimethoxybenzoic acid.

Molecular Properties

Compound Name5-(1-aminocyclopentyl)-2,3-dimethoxybenzoic acid
PubChem CID117416999
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name5-(1-aminocyclopentyl)-2,3-dimethoxybenzoic acid
SMILESCOc1cc(C2(N)CCCC2)cc(C(=O)O)c1OC
InChIInChI=1S/C14H19NO4/c1-18-11-8-9(14(15)5-3-4-6-14)7-10(13(16)17)12(11)19-2/h7-8H,3-6,15H2,1-2H3,(H,16,17)
InChIKeyJHHPEOFHIVWOEM-UHFFFAOYSA-N
XLogP2.13
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-bromo-4,5-dimethoxyphenyl)cyclopentan-1-amine
CID 117483760
1-(3-bromo-4,5-dimethoxyphenyl)cyclohexan-1-amine
CID 117499870
1-(4-fluoro-3,5-dimethoxyphenyl)cyclopentan-1-amine
CID 84799752
1-(3-bromo-4,5-dimethoxyphenyl)cyclopropan-1-amine
CID 84809517
4-(3,4,5-trimethoxyphenyl)oxan-4-amine
CID 82304818
3-amino-2,4,5-trimethoxybenzoic acid
CID 63023847
1-(3-methoxy-4,5-dimethylphenyl)cyclohexan-1-amine
CID 117339192
2-(1-aminocyclopropyl)-4-hydroxy-5-methoxybenzoic acid
CID 105480283
5-[1-(aminomethyl)cyclopentyl]-3-fluoro-2-methoxybenzoic acid
CID 117421579
1-(4-fluoro-3-methoxy-5-methylphenyl)cyclopentan-1-amine
CID 117320334
methyl 5-(1-aminocyclopentyl)-2,3-dimethylbenzoate
CID 117371134
1-[5-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120856611

Frequently Asked Questions

What is the IUPAC name of 5-(1-aminocyclopentyl)-2,3-dimethoxybenzoic acid?
The IUPAC name of 5-(1-aminocyclopentyl)-2,3-dimethoxybenzoic acid (CID 117416999) is 5-(1-aminocyclopentyl)-2,3-dimethoxybenzoic acid.
What is the SMILES notation for 5-(1-aminocyclopentyl)-2,3-dimethoxybenzoic acid?
The canonical SMILES for 5-(1-aminocyclopentyl)-2,3-dimethoxybenzoic acid is COc1cc(C2(N)CCCC2)cc(C(=O)O)c1OC.
What is the InChIKey of 5-(1-aminocyclopentyl)-2,3-dimethoxybenzoic acid?
The InChIKey is JHHPEOFHIVWOEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-18-11-8-9(14(15)5-3-4-6-14)7-10(13(16)17)12(11)19-2/h7-8H,3-6,15H2,1-2H3,(H,16,17).
What are the key properties of 5-(1-aminocyclopentyl)-2,3-dimethoxybenzoic acid?
5-(1-aminocyclopentyl)-2,3-dimethoxybenzoic acid has a molecular weight of 265.31 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-aminocyclopentyl)-2,3-dimethoxybenzoic acid is sourced from PubChem (CID 117416999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).