4-[[(2-anilinoacetyl)amino]methyl]oxane-4-carboxylic acid

C15H20N2O4 — CID 115439975

IUPAC4-[[(2-anilinoacetyl)amino]methyl]oxane-4-carboxylic acid
SMILESO=C(CNc1ccccc1)NCC1(C(=O)O)CCOCC1
InChIInChI=1S/C15H20N2O4/c18-13(10-16-12-4-2-1-3-5-12)17-11-15(14(19)20)6-8-21-9-7-15/h1-5,16H,6-11H2,(H,17,18)(H,19,20)
InChIKeyYFNHSABWYLKHQI-UHFFFAOYSA-N
MW292.33 g/mol
LogP1.10
Rot. Bonds6

About 4-[[(2-anilinoacetyl)amino]methyl]oxane-4-carboxylic acid

4-[[(2-anilinoacetyl)amino]methyl]oxane-4-carboxylic acid (PubChem CID 115439975) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 4-[[(2-anilinoacetyl)amino]methyl]oxane-4-carboxylic acid.

Molecular Properties

Compound Name4-[[(2-anilinoacetyl)amino]methyl]oxane-4-carboxylic acid
PubChem CID115439975
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name4-[[(2-anilinoacetyl)amino]methyl]oxane-4-carboxylic acid
SMILESO=C(CNc1ccccc1)NCC1(C(=O)O)CCOCC1
InChIInChI=1S/C15H20N2O4/c18-13(10-16-12-4-2-1-3-5-12)17-11-15(14(19)20)6-8-21-9-7-15/h1-5,16H,6-11H2,(H,17,18)(H,19,20)
InChIKeyYFNHSABWYLKHQI-UHFFFAOYSA-N
XLogP1.10
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[[(2-anilinoacetyl)amino]methyl]oxane-4-carboxylic 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

4-[[[2-[(4-tert-butylbenzoyl)amino]acetyl]amino]methyl]oxane-4-carboxylic acid
CID 120541739
4-[(3-phenylsulfanylpropanoylamino)methyl]oxane-4-carboxylic acid
CID 120542743
4-[[[2-(2-methylphenyl)sulfanylacetyl]amino]methyl]oxane-4-carboxylic acid
CID 120543228
4-[[(2-methyl-2-phenylpropanoyl)amino]methyl]oxane-4-carboxylic acid
CID 120543239
4-[(propanoylamino)methyl]oxane-4-carboxylic acid
CID 115438294
4-(phenylmethoxycarbonylaminomethyl)oxane-4-carboxylic acid
CID 91667078
4-[[[2-(2-chlorophenoxy)acetyl]amino]methyl]oxane-4-carboxylic acid
CID 120541780
4-[[[methyl(phenyl)carbamoyl]amino]methyl]oxane-4-carboxylic acid
CID 115440277
4-[[[2-(3-fluorophenyl)acetyl]amino]methyl]oxane-4-carboxylic acid
CID 115438203
4-[[(3-acetamido-3-phenylpropanoyl)amino]methyl]oxane-4-carboxylic acid
CID 120542726
4-[[(1-phenoxycyclopropanecarbonyl)amino]methyl]oxane-4-carboxylic acid
CID 122108588
4-[[(2-thiophen-3-ylacetyl)amino]methyl]oxane-4-carboxylic acid
CID 113309985

Frequently Asked Questions

What is the IUPAC name of 4-[[(2-anilinoacetyl)amino]methyl]oxane-4-carboxylic acid?
The IUPAC name of 4-[[(2-anilinoacetyl)amino]methyl]oxane-4-carboxylic acid (CID 115439975) is 4-[[(2-anilinoacetyl)amino]methyl]oxane-4-carboxylic acid.
What is the SMILES notation for 4-[[(2-anilinoacetyl)amino]methyl]oxane-4-carboxylic acid?
The canonical SMILES for 4-[[(2-anilinoacetyl)amino]methyl]oxane-4-carboxylic acid is O=C(CNc1ccccc1)NCC1(C(=O)O)CCOCC1.
What is the InChIKey of 4-[[(2-anilinoacetyl)amino]methyl]oxane-4-carboxylic acid?
The InChIKey is YFNHSABWYLKHQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c18-13(10-16-12-4-2-1-3-5-12)17-11-15(14(19)20)6-8-21-9-7-15/h1-5,16H,6-11H2,(H,17,18)(H,19,20).
What are the key properties of 4-[[(2-anilinoacetyl)amino]methyl]oxane-4-carboxylic acid?
4-[[(2-anilinoacetyl)amino]methyl]oxane-4-carboxylic acid has a molecular weight of 292.33 g/mol, XLogP of 1.10, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2-anilinoacetyl)amino]methyl]oxane-4-carboxylic acid is sourced from PubChem (CID 115439975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).