2-[3-[(2-acetamidopropanoylamino)methyl]phenoxy]acetic acid

C14H18N2O5 — CID 119246914

IUPAC2-[3-[(2-acetamidopropanoylamino)methyl]phenoxy]acetic acid
SMILESCC(=O)NC(C)C(=O)NCc1cccc(OCC(=O)O)c1
InChIInChI=1S/C14H18N2O5/c1-9(16-10(2)17)14(20)15-7-11-4-3-5-12(6-11)21-8-13(18)19/h3-6,9H,7-8H2,1-2H3,(H,15,20)(H,16,17)(H,18,19)
InChIKeyJBMNMFNTRTXDNA-UHFFFAOYSA-N
MW294.31 g/mol
LogP0.29
Rot. Bonds7

About 2-[3-[(2-acetamidopropanoylamino)methyl]phenoxy]acetic acid

2-[3-[(2-acetamidopropanoylamino)methyl]phenoxy]acetic acid (PubChem CID 119246914) has the molecular formula C14H18N2O5 and a molecular weight of 294.31 g/mol. Its IUPAC name is 2-[3-[(2-acetamidopropanoylamino)methyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[3-[(2-acetamidopropanoylamino)methyl]phenoxy]acetic acid
PubChem CID119246914
Molecular FormulaC14H18N2O5
Molecular Weight294.31 g/mol
Exact Mass294.12
IUPAC Name2-[3-[(2-acetamidopropanoylamino)methyl]phenoxy]acetic acid
SMILESCC(=O)NC(C)C(=O)NCc1cccc(OCC(=O)O)c1
InChIInChI=1S/C14H18N2O5/c1-9(16-10(2)17)14(20)15-7-11-4-3-5-12(6-11)21-8-13(18)19/h3-6,9H,7-8H2,1-2H3,(H,15,20)(H,16,17)(H,18,19)
InChIKeyJBMNMFNTRTXDNA-UHFFFAOYSA-N
XLogP0.29
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[3-[(2-acetamidopropanoylamino)methyl]phenoxy]acetic 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

(2S)-2-acetamido-N-[(3-methoxyphenyl)methyl]propanamide
CID 34819984
2-[3-[[2-[(2-cyclohexylacetyl)amino]propanoylamino]methyl]phenoxy]acetic acid
CID 119246413
2-acetamido-N-[[3-(hydroxymethyl)phenyl]methyl]propanamide
CID 55205235
2-[3-[(2-thiophen-2-ylpropanoylamino)methyl]phenoxy]acetic acid
CID 119246577
2-[3-[[2-(5-methyl-2-propan-2-ylphenoxy)propanoylamino]methyl]phenoxy]acetic acid
CID 119246396
2-[3-[(2-pyrazol-1-ylpropanoylamino)methyl]phenoxy]acetic acid
CID 119246406
(2S)-2-acetamido-N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]propanamide
CID 167024593
2-[3-[(2-methylpropylamino)methyl]phenoxy]acetic acid
CID 102535865
2-[3-[[(2-propan-2-ylsulfonylacetyl)amino]methyl]phenoxy]acetic acid
CID 119246757
2-acetamido-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 4877482
N-[1-oxo-1-[[3-(2,2,2-trifluoroethoxy)phenyl]methylamino]propan-2-yl]benzamide
CID 55712296
(2R)-2-acetamido-N-[(3-methoxyphenyl)methyl]-3-methylbutanamide
CID 9495719

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2-acetamidopropanoylamino)methyl]phenoxy]acetic acid?
The IUPAC name of 2-[3-[(2-acetamidopropanoylamino)methyl]phenoxy]acetic acid (CID 119246914) is 2-[3-[(2-acetamidopropanoylamino)methyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[3-[(2-acetamidopropanoylamino)methyl]phenoxy]acetic acid?
The canonical SMILES for 2-[3-[(2-acetamidopropanoylamino)methyl]phenoxy]acetic acid is CC(=O)NC(C)C(=O)NCc1cccc(OCC(=O)O)c1.
What is the InChIKey of 2-[3-[(2-acetamidopropanoylamino)methyl]phenoxy]acetic acid?
The InChIKey is JBMNMFNTRTXDNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O5/c1-9(16-10(2)17)14(20)15-7-11-4-3-5-12(6-11)21-8-13(18)19/h3-6,9H,7-8H2,1-2H3,(H,15,20)(H,16,17)(H,18,19).
What are the key properties of 2-[3-[(2-acetamidopropanoylamino)methyl]phenoxy]acetic acid?
2-[3-[(2-acetamidopropanoylamino)methyl]phenoxy]acetic acid has a molecular weight of 294.31 g/mol, XLogP of 0.29, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2-acetamidopropanoylamino)methyl]phenoxy]acetic acid is sourced from PubChem (CID 119246914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).