2-amino-4-(4-ethoxypiperidin-1-yl)benzoic acid

C14H20N2O3 — CID 113419739

IUPAC2-amino-4-(4-ethoxypiperidin-1-yl)benzoic acid
SMILESCCOC1CCN(c2ccc(C(=O)O)c(N)c2)CC1
InChIInChI=1S/C14H20N2O3/c1-2-19-11-5-7-16(8-6-11)10-3-4-12(14(17)18)13(15)9-10/h3-4,9,11H,2,5-8,15H2,1H3,(H,17,18)
InChIKeyZDSFNITTXVTLES-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.97
Rot. Bonds4

About 2-amino-4-(4-ethoxypiperidin-1-yl)benzoic acid

2-amino-4-(4-ethoxypiperidin-1-yl)benzoic acid (PubChem CID 113419739) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-amino-4-(4-ethoxypiperidin-1-yl)benzoic acid.

Molecular Properties

Compound Name2-amino-4-(4-ethoxypiperidin-1-yl)benzoic acid
PubChem CID113419739
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2-amino-4-(4-ethoxypiperidin-1-yl)benzoic acid
SMILESCCOC1CCN(c2ccc(C(=O)O)c(N)c2)CC1
InChIInChI=1S/C14H20N2O3/c1-2-19-11-5-7-16(8-6-11)10-3-4-12(14(17)18)13(15)9-10/h3-4,9,11H,2,5-8,15H2,1H3,(H,17,18)
InChIKeyZDSFNITTXVTLES-UHFFFAOYSA-N
XLogP1.97
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(4-ethoxypiperidin-1-yl)benzene-1,2-diamine
CID 106750486
5-(4-ethoxypiperidin-1-yl)-2-methylaniline
CID 62911119
2-amino-4-[3-(diethylamino)pyrrolidin-1-yl]benzoic acid
CID 104500618
2-amino-4-[3-(dimethylamino)pyrrolidin-1-yl]benzoic acid
CID 113419808
2-amino-4-(3-ethylpiperidin-1-yl)benzoic acid
CID 104500277
1-[2-amino-4-(4-hydroxypiperidin-1-yl)phenyl]ethanone
CID 104528170
2-amino-4-thiomorpholin-4-ylbenzoic acid
CID 104500038
1-[2-amino-4-[4-(hydroxymethyl)piperidin-1-yl]phenyl]ethanone
CID 113423185
2-amino-4-[4-(2-hydroxyethyl)piperazin-1-yl]benzoic acid
CID 104500037
2-amino-5-[4-(hydroxymethyl)piperidin-1-yl]benzoic acid
CID 60990150
2-amino-4-(8-azaspiro[4.5]decan-8-yl)benzoic acid
CID 104500617
1-[2-amino-4-(3-propoxypiperidin-1-yl)phenyl]ethanone
CID 104528611

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(4-ethoxypiperidin-1-yl)benzoic acid?
The IUPAC name of 2-amino-4-(4-ethoxypiperidin-1-yl)benzoic acid (CID 113419739) is 2-amino-4-(4-ethoxypiperidin-1-yl)benzoic acid.
What is the SMILES notation for 2-amino-4-(4-ethoxypiperidin-1-yl)benzoic acid?
The canonical SMILES for 2-amino-4-(4-ethoxypiperidin-1-yl)benzoic acid is CCOC1CCN(c2ccc(C(=O)O)c(N)c2)CC1.
What is the InChIKey of 2-amino-4-(4-ethoxypiperidin-1-yl)benzoic acid?
The InChIKey is ZDSFNITTXVTLES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-2-19-11-5-7-16(8-6-11)10-3-4-12(14(17)18)13(15)9-10/h3-4,9,11H,2,5-8,15H2,1H3,(H,17,18).
What are the key properties of 2-amino-4-(4-ethoxypiperidin-1-yl)benzoic acid?
2-amino-4-(4-ethoxypiperidin-1-yl)benzoic acid has a molecular weight of 264.32 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(4-ethoxypiperidin-1-yl)benzoic acid is sourced from PubChem (CID 113419739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).