2-[[2-[4-[3-(oxolan-2-yl)propanoylamino]phenyl]acetyl]amino]acetic acid

C17H22N2O5 — CID 119224410

IUPAC2-[[2-[4-[3-(oxolan-2-yl)propanoylamino]phenyl]acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)Cc1ccc(NC(=O)CCC2CCCO2)cc1
InChIInChI=1S/C17H22N2O5/c20-15(8-7-14-2-1-9-24-14)19-13-5-3-12(4-6-13)10-16(21)18-11-17(22)23/h3-6,14H,1-2,7-11H2,(H,18,21)(H,19,20)(H,22,23)
InChIKeySLVKPLFVGIIBEM-UHFFFAOYSA-N
MW334.37 g/mol
LogP1.33
Rot. Bonds8

About 2-[[2-[4-[3-(oxolan-2-yl)propanoylamino]phenyl]acetyl]amino]acetic acid

2-[[2-[4-[3-(oxolan-2-yl)propanoylamino]phenyl]acetyl]amino]acetic acid (PubChem CID 119224410) has the molecular formula C17H22N2O5 and a molecular weight of 334.37 g/mol. Its IUPAC name is 2-[[2-[4-[3-(oxolan-2-yl)propanoylamino]phenyl]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[4-[3-(oxolan-2-yl)propanoylamino]phenyl]acetyl]amino]acetic acid
PubChem CID119224410
Molecular FormulaC17H22N2O5
Molecular Weight334.37 g/mol
Exact Mass334.15
IUPAC Name2-[[2-[4-[3-(oxolan-2-yl)propanoylamino]phenyl]acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)Cc1ccc(NC(=O)CCC2CCCO2)cc1
InChIInChI=1S/C17H22N2O5/c20-15(8-7-14-2-1-9-24-14)19-13-5-3-12(4-6-13)10-16(21)18-11-17(22)23/h3-6,14H,1-2,7-11H2,(H,18,21)(H,19,20)(H,22,23)
InChIKeySLVKPLFVGIIBEM-UHFFFAOYSA-N
XLogP1.33
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[[2-[4-[3-(oxolan-2-yl)propanoylamino]phenyl]acetyl]amino]acetic acid with MolForge

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Related Compounds

N-[4-(2-amino-2-hydroxyiminoethyl)phenyl]-3-(oxolan-2-yl)propanamide
CID 77057810
N-[4-(2-chloroethyl)phenyl]-3-(oxolan-2-yl)propanamide
CID 114299310
N-(4-bromophenyl)-3-(oxolan-2-yl)propanamide
CID 42956700
3-(oxolan-2-yl)-N-[4-[(propan-2-ylamino)methyl]phenyl]propanamide
CID 106910402
2-[[2-[4-(4-cyclohexylbutanoylamino)phenyl]acetyl]amino]acetic acid
CID 119224601
N-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-3-(oxolan-2-yl)propanamide
CID 77057653
2-hydroxy-5-[3-(oxolan-2-yl)propanoylamino]benzoic acid
CID 43353096
2-[[2-[4-[(2-cyclohexylacetyl)amino]phenyl]acetyl]amino]acetic acid
CID 119224346
N-(4-cyanophenyl)-3-(oxan-2-yl)propanamide
CID 63939812
2-[[4-(3-cyclobutylpropanoylamino)benzoyl]amino]acetic acid
CID 120522605
N-(6-bromo-3-pyridinyl)-3-(oxolan-2-yl)propanamide
CID 103789254
2-[[2-[4-[4-(cyclopropanecarbonylamino)butanoylamino]phenyl]acetyl]amino]acetic acid
CID 119224615

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[4-[3-(oxolan-2-yl)propanoylamino]phenyl]acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-[4-[3-(oxolan-2-yl)propanoylamino]phenyl]acetyl]amino]acetic acid (CID 119224410) is 2-[[2-[4-[3-(oxolan-2-yl)propanoylamino]phenyl]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[4-[3-(oxolan-2-yl)propanoylamino]phenyl]acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[4-[3-(oxolan-2-yl)propanoylamino]phenyl]acetyl]amino]acetic acid is O=C(O)CNC(=O)Cc1ccc(NC(=O)CCC2CCCO2)cc1.
What is the InChIKey of 2-[[2-[4-[3-(oxolan-2-yl)propanoylamino]phenyl]acetyl]amino]acetic acid?
The InChIKey is SLVKPLFVGIIBEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O5/c20-15(8-7-14-2-1-9-24-14)19-13-5-3-12(4-6-13)10-16(21)18-11-17(22)23/h3-6,14H,1-2,7-11H2,(H,18,21)(H,19,20)(H,22,23).
What are the key properties of 2-[[2-[4-[3-(oxolan-2-yl)propanoylamino]phenyl]acetyl]amino]acetic acid?
2-[[2-[4-[3-(oxolan-2-yl)propanoylamino]phenyl]acetyl]amino]acetic acid has a molecular weight of 334.37 g/mol, XLogP of 1.33, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[4-[3-(oxolan-2-yl)propanoylamino]phenyl]acetyl]amino]acetic acid is sourced from PubChem (CID 119224410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).