2-hydroxy-4-(2-phenylethoxycarbonylamino)benzoic acid

C16H15NO5 — CID 19001014

IUPAC2-hydroxy-4-(2-phenylethoxycarbonylamino)benzoic acid
SMILESO=C(Nc1ccc(C(=O)O)c(O)c1)OCCc1ccccc1
InChIInChI=1S/C16H15NO5/c18-14-10-12(6-7-13(14)15(19)20)17-16(21)22-9-8-11-4-2-1-3-5-11/h1-7,10,18H,8-9H2,(H,17,21)(H,19,20)
InChIKeyWCADWENTKSICJB-UHFFFAOYSA-N
MW301.30 g/mol
LogP2.88
Rot. Bonds5

About 2-hydroxy-4-(2-phenylethoxycarbonylamino)benzoic acid

2-hydroxy-4-(2-phenylethoxycarbonylamino)benzoic acid (PubChem CID 19001014) has the molecular formula C16H15NO5 and a molecular weight of 301.30 g/mol. Its IUPAC name is 2-hydroxy-4-(2-phenylethoxycarbonylamino)benzoic acid.

Molecular Properties

Compound Name2-hydroxy-4-(2-phenylethoxycarbonylamino)benzoic acid
PubChem CID19001014
Molecular FormulaC16H15NO5
Molecular Weight301.30 g/mol
Exact Mass301.10
IUPAC Name2-hydroxy-4-(2-phenylethoxycarbonylamino)benzoic acid
SMILESO=C(Nc1ccc(C(=O)O)c(O)c1)OCCc1ccccc1
InChIInChI=1S/C16H15NO5/c18-14-10-12(6-7-13(14)15(19)20)17-16(21)22-9-8-11-4-2-1-3-5-11/h1-7,10,18H,8-9H2,(H,17,21)(H,19,20)
InChIKeyWCADWENTKSICJB-UHFFFAOYSA-N
XLogP2.88
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenylethyl N-(4-sulfamoylphenyl)carbamate
CID 127525088
2-hydroxy-4-(3-phenoxypropanoylamino)benzoic acid
CID 108806972
4-benzamido-2-hydroxybenzoic acid;benzyl 2-hydroxybenzoate
CID 159314352
methyl 2-hydroxy-4-(propoxycarbonylamino)benzoate
CID 139715221
2-hydroxy-5-(2-prop-2-enoyloxyethoxycarbonylamino)benzoic acid
CID 59042097
calcium 4-benzamido-2-hydroxybenzoic acid
CID 54607902
4-benzamidosalicylic acid, calcium salt
CID 126959845
2-hydroxy-4-(phenylcarbamothioylamino)benzoic acid
CID 670881
calcium;4-benzamido-2-hydroxybenzoic acid;hydride
CID 173372748
2-hydroxy-4-[[4-(phenoxymethyl)benzoyl]amino]benzoic acid
CID 4896531
[4-[2-[4-[(2-phenylacetyl)amino]phenyl]ethoxycarbonylamino]phenyl]methyl N-[4-(hydroxymethyl)phenyl]carbamate
CID 71085684
5-(dodecoxycarbonylamino)-2-hydroxybenzoic acid
CID 19000995

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-(2-phenylethoxycarbonylamino)benzoic acid?
The IUPAC name of 2-hydroxy-4-(2-phenylethoxycarbonylamino)benzoic acid (CID 19001014) is 2-hydroxy-4-(2-phenylethoxycarbonylamino)benzoic acid.
What is the SMILES notation for 2-hydroxy-4-(2-phenylethoxycarbonylamino)benzoic acid?
The canonical SMILES for 2-hydroxy-4-(2-phenylethoxycarbonylamino)benzoic acid is O=C(Nc1ccc(C(=O)O)c(O)c1)OCCc1ccccc1.
What is the InChIKey of 2-hydroxy-4-(2-phenylethoxycarbonylamino)benzoic acid?
The InChIKey is WCADWENTKSICJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO5/c18-14-10-12(6-7-13(14)15(19)20)17-16(21)22-9-8-11-4-2-1-3-5-11/h1-7,10,18H,8-9H2,(H,17,21)(H,19,20).
What are the key properties of 2-hydroxy-4-(2-phenylethoxycarbonylamino)benzoic acid?
2-hydroxy-4-(2-phenylethoxycarbonylamino)benzoic acid has a molecular weight of 301.30 g/mol, XLogP of 2.88, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-(2-phenylethoxycarbonylamino)benzoic acid is sourced from PubChem (CID 19001014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).