4-[4-(2-aminoethoxycarbonyl)phenyl]benzoic acid

C16H15NO4 — CID 139668907

IUPAC4-[4-(2-aminoethoxycarbonyl)phenyl]benzoic acid
SMILESNCCOC(=O)c1ccc(-c2ccc(C(=O)O)cc2)cc1
InChIInChI=1S/C16H15NO4/c17-9-10-21-16(20)14-7-3-12(4-8-14)11-1-5-13(6-2-11)15(18)19/h1-8H,9-10,17H2,(H,18,19)
InChIKeyZHISTAFZSXBMAL-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.17
Rot. Bonds5

About 4-[4-(2-aminoethoxycarbonyl)phenyl]benzoic acid

4-[4-(2-aminoethoxycarbonyl)phenyl]benzoic acid (PubChem CID 139668907) has the molecular formula C16H15NO4 and a molecular weight of 285.30 g/mol. Its IUPAC name is 4-[4-(2-aminoethoxycarbonyl)phenyl]benzoic acid.

Molecular Properties

Compound Name4-[4-(2-aminoethoxycarbonyl)phenyl]benzoic acid
PubChem CID139668907
Molecular FormulaC16H15NO4
Molecular Weight285.30 g/mol
Exact Mass285.10
IUPAC Name4-[4-(2-aminoethoxycarbonyl)phenyl]benzoic acid
SMILESNCCOC(=O)c1ccc(-c2ccc(C(=O)O)cc2)cc1
InChIInChI=1S/C16H15NO4/c17-9-10-21-16(20)14-7-3-12(4-8-14)11-1-5-13(6-2-11)15(18)19/h1-8H,9-10,17H2,(H,18,19)
InChIKeyZHISTAFZSXBMAL-UHFFFAOYSA-N
XLogP2.17
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(6-hydroxyhexoxycarbonyl)phenyl]benzoic acid
CID 57269652
12-hydroxydodecyl 4-[4-(12-hydroxydodecoxycarbonyl)phenyl]benzoate
CID 139669439
4-(5-hydroxypentoxycarbonyl)benzoic acid
CID 70119463
4-prop-2-enoxycarbonylbenzoic acid
CID 18349855
3-[2-(4-carboxybenzoyl)oxyethoxycarbonyl]benzoic acid
CID 67316168
4-[2-[4-(2-hydroxyethoxy)phenoxy]ethoxycarbonyl]benzoic acid
CID 57119637
4-[4-(2-aminoacetyl)phenyl]benzoic acid
CID 170860582
benzoic acid;2-(2-benzoyloxyethoxy)ethyl benzoate
CID 162019063
2-[4-(2-aminoethoxycarbonyl)-2-pyridinyl]pyridine-4-carboxylic acid
CID 70895468
4-hepta-3,6-dienoxycarbonylbenzoic acid
CID 142394340
bis(4-(2-prop-2-enoyloxyethoxycarbonyl)benzoic acid);zinc
CID 59502826
chromium;terephthalic acid
CID 87187082

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-aminoethoxycarbonyl)phenyl]benzoic acid?
The IUPAC name of 4-[4-(2-aminoethoxycarbonyl)phenyl]benzoic acid (CID 139668907) is 4-[4-(2-aminoethoxycarbonyl)phenyl]benzoic acid.
What is the SMILES notation for 4-[4-(2-aminoethoxycarbonyl)phenyl]benzoic acid?
The canonical SMILES for 4-[4-(2-aminoethoxycarbonyl)phenyl]benzoic acid is NCCOC(=O)c1ccc(-c2ccc(C(=O)O)cc2)cc1.
What is the InChIKey of 4-[4-(2-aminoethoxycarbonyl)phenyl]benzoic acid?
The InChIKey is ZHISTAFZSXBMAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO4/c17-9-10-21-16(20)14-7-3-12(4-8-14)11-1-5-13(6-2-11)15(18)19/h1-8H,9-10,17H2,(H,18,19).
What are the key properties of 4-[4-(2-aminoethoxycarbonyl)phenyl]benzoic acid?
4-[4-(2-aminoethoxycarbonyl)phenyl]benzoic acid has a molecular weight of 285.30 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-aminoethoxycarbonyl)phenyl]benzoic acid is sourced from PubChem (CID 139668907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).