2-[2-[[4-(hydroxymethyl)oxan-4-yl]amino]-2-oxoethyl]benzoic acid

C15H19NO5 — CID 106296960

IUPAC2-[2-[[4-(hydroxymethyl)oxan-4-yl]amino]-2-oxoethyl]benzoic acid
SMILESO=C(Cc1ccccc1C(=O)O)NC1(CO)CCOCC1
InChIInChI=1S/C15H19NO5/c17-10-15(5-7-21-8-6-15)16-13(18)9-11-3-1-2-4-12(11)14(19)20/h1-4,17H,5-10H2,(H,16,18)(H,19,20)
InChIKeyQDGGBHHYBBNRNM-UHFFFAOYSA-N
MW293.32 g/mol
LogP0.58
Rot. Bonds5

About 2-[2-[[4-(hydroxymethyl)oxan-4-yl]amino]-2-oxoethyl]benzoic acid

2-[2-[[4-(hydroxymethyl)oxan-4-yl]amino]-2-oxoethyl]benzoic acid (PubChem CID 106296960) has the molecular formula C15H19NO5 and a molecular weight of 293.32 g/mol. Its IUPAC name is 2-[2-[[4-(hydroxymethyl)oxan-4-yl]amino]-2-oxoethyl]benzoic acid.

Molecular Properties

Compound Name2-[2-[[4-(hydroxymethyl)oxan-4-yl]amino]-2-oxoethyl]benzoic acid
PubChem CID106296960
Molecular FormulaC15H19NO5
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Name2-[2-[[4-(hydroxymethyl)oxan-4-yl]amino]-2-oxoethyl]benzoic acid
SMILESO=C(Cc1ccccc1C(=O)O)NC1(CO)CCOCC1
InChIInChI=1S/C15H19NO5/c17-10-15(5-7-21-8-6-15)16-13(18)9-11-3-1-2-4-12(11)14(19)20/h1-4,17H,5-10H2,(H,16,18)(H,19,20)
InChIKeyQDGGBHHYBBNRNM-UHFFFAOYSA-N
XLogP0.58
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[2-[[4-(hydroxymethyl)oxan-4-yl]amino]-2-oxoethyl]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(hydroxymethyl)oxan-4-yl]-2-(3-hydroxyphenyl)acetamide
CID 104630714
2-(3-chlorophenyl)-N-[4-(hydroxymethyl)oxan-4-yl]acetamide
CID 103954217
N-[4-(bromomethyl)oxan-4-yl]-2-phenylacetamide
CID 106300936
N-[4-(hydroxymethyl)oxan-4-yl]-3-phenylprop-2-ynamide
CID 104630641
N-[4-(chloromethyl)oxan-4-yl]-2-(2-methylphenyl)acetamide
CID 114170463
2-[2-[[4-(hydroxymethyl)oxan-4-yl]amino]ethoxy]benzoic acid
CID 106300408
N-[4-(hydroxymethyl)oxan-4-yl]-2-methoxybenzamide
CID 103954290
2-(2-fluorophenoxy)-N-[4-(hydroxymethyl)oxan-4-yl]acetamide
CID 103954074
2-chloro-N-[4-(hydroxymethyl)oxan-4-yl]pyridine-3-carboxamide
CID 104630360
2-(2-aminophenyl)-N-[1-(hydroxymethyl)cyclohexyl]acetamide
CID 62526209
[4-(hydroxymethyl)oxan-4-yl]carbamic acid
CID 68806059
N-[4-(hydroxymethyl)oxan-4-yl]-2,3-dihydro-1H-indene-2-carboxamide
CID 106704048

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[4-(hydroxymethyl)oxan-4-yl]amino]-2-oxoethyl]benzoic acid?
The IUPAC name of 2-[2-[[4-(hydroxymethyl)oxan-4-yl]amino]-2-oxoethyl]benzoic acid (CID 106296960) is 2-[2-[[4-(hydroxymethyl)oxan-4-yl]amino]-2-oxoethyl]benzoic acid.
What is the SMILES notation for 2-[2-[[4-(hydroxymethyl)oxan-4-yl]amino]-2-oxoethyl]benzoic acid?
The canonical SMILES for 2-[2-[[4-(hydroxymethyl)oxan-4-yl]amino]-2-oxoethyl]benzoic acid is O=C(Cc1ccccc1C(=O)O)NC1(CO)CCOCC1.
What is the InChIKey of 2-[2-[[4-(hydroxymethyl)oxan-4-yl]amino]-2-oxoethyl]benzoic acid?
The InChIKey is QDGGBHHYBBNRNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO5/c17-10-15(5-7-21-8-6-15)16-13(18)9-11-3-1-2-4-12(11)14(19)20/h1-4,17H,5-10H2,(H,16,18)(H,19,20).
What are the key properties of 2-[2-[[4-(hydroxymethyl)oxan-4-yl]amino]-2-oxoethyl]benzoic acid?
2-[2-[[4-(hydroxymethyl)oxan-4-yl]amino]-2-oxoethyl]benzoic acid has a molecular weight of 293.32 g/mol, XLogP of 0.58, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[4-(hydroxymethyl)oxan-4-yl]amino]-2-oxoethyl]benzoic acid is sourced from PubChem (CID 106296960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).