3-[[4-[[2-(oxan-2-yl)acetyl]amino]benzoyl]amino]propanoic acid

C17H22N2O5 — CID 120687029

IUPAC3-[[4-[[2-(oxan-2-yl)acetyl]amino]benzoyl]amino]propanoic acid
SMILESO=C(O)CCNC(=O)c1ccc(NC(=O)CC2CCCCO2)cc1
InChIInChI=1S/C17H22N2O5/c20-15(11-14-3-1-2-10-24-14)19-13-6-4-12(5-7-13)17(23)18-9-8-16(21)22/h4-7,14H,1-3,8-11H2,(H,18,23)(H,19,20)(H,21,22)
InChIKeyRVRAHDBVMRCLJT-UHFFFAOYSA-N
MW334.37 g/mol
LogP1.79
Rot. Bonds7

About 3-[[4-[[2-(oxan-2-yl)acetyl]amino]benzoyl]amino]propanoic acid

3-[[4-[[2-(oxan-2-yl)acetyl]amino]benzoyl]amino]propanoic acid (PubChem CID 120687029) has the molecular formula C17H22N2O5 and a molecular weight of 334.37 g/mol. Its IUPAC name is 3-[[4-[[2-(oxan-2-yl)acetyl]amino]benzoyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[4-[[2-(oxan-2-yl)acetyl]amino]benzoyl]amino]propanoic acid
PubChem CID120687029
Molecular FormulaC17H22N2O5
Molecular Weight334.37 g/mol
Exact Mass334.15
IUPAC Name3-[[4-[[2-(oxan-2-yl)acetyl]amino]benzoyl]amino]propanoic acid
SMILESO=C(O)CCNC(=O)c1ccc(NC(=O)CC2CCCCO2)cc1
InChIInChI=1S/C17H22N2O5/c20-15(11-14-3-1-2-10-24-14)19-13-6-4-12(5-7-13)17(23)18-9-8-16(21)22/h4-7,14H,1-3,8-11H2,(H,18,23)(H,19,20)(H,21,22)
InChIKeyRVRAHDBVMRCLJT-UHFFFAOYSA-N
XLogP1.79
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-[[4-[[2-(oxan-2-yl)acetyl]amino]benzoyl]amino]propanoic 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

3-[[4-[(2-cyclopentylsulfonylacetyl)amino]benzoyl]amino]propanoic acid
CID 119223026
2-(oxan-2-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 110423473
2-methyl-2-[4-[[2-(oxan-2-yl)acetyl]amino]phenyl]propanoic acid
CID 120688056
3-[[4-(3-cyclopropylpropanoylamino)benzoyl]amino]propanoic acid
CID 119223043
3-[[4-[[2-(cyclohexylcarbamoylamino)acetyl]amino]benzoyl]amino]propanoic acid
CID 119223003
N-[4-[(cyclopropylamino)methyl]phenyl]-2-(oxan-2-yl)acetamide
CID 106910580
2-(oxan-2-yl)-N-(4-piperidin-1-ylphenyl)acetamide
CID 110425035
4-[2-(oxan-2-yl)ethylcarbamoyl]benzoic acid
CID 106704122
4-(butanoylamino)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 1292661
N-(4-ethylphenyl)-2-(oxolan-2-yl)acetamide
CID 110696629
2-fluoro-4-[[2-(oxan-2-yl)acetyl]amino]benzoic acid
CID 107792703
N-[3-oxo-3-[4-(oxolan-2-ylmethylsulfamoyl)anilino]propyl]benzamide
CID 17154597

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[[2-(oxan-2-yl)acetyl]amino]benzoyl]amino]propanoic acid?
The IUPAC name of 3-[[4-[[2-(oxan-2-yl)acetyl]amino]benzoyl]amino]propanoic acid (CID 120687029) is 3-[[4-[[2-(oxan-2-yl)acetyl]amino]benzoyl]amino]propanoic acid.
What is the SMILES notation for 3-[[4-[[2-(oxan-2-yl)acetyl]amino]benzoyl]amino]propanoic acid?
The canonical SMILES for 3-[[4-[[2-(oxan-2-yl)acetyl]amino]benzoyl]amino]propanoic acid is O=C(O)CCNC(=O)c1ccc(NC(=O)CC2CCCCO2)cc1.
What is the InChIKey of 3-[[4-[[2-(oxan-2-yl)acetyl]amino]benzoyl]amino]propanoic acid?
The InChIKey is RVRAHDBVMRCLJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O5/c20-15(11-14-3-1-2-10-24-14)19-13-6-4-12(5-7-13)17(23)18-9-8-16(21)22/h4-7,14H,1-3,8-11H2,(H,18,23)(H,19,20)(H,21,22).
What are the key properties of 3-[[4-[[2-(oxan-2-yl)acetyl]amino]benzoyl]amino]propanoic acid?
3-[[4-[[2-(oxan-2-yl)acetyl]amino]benzoyl]amino]propanoic acid has a molecular weight of 334.37 g/mol, XLogP of 1.79, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[[2-(oxan-2-yl)acetyl]amino]benzoyl]amino]propanoic acid is sourced from PubChem (CID 120687029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).