3-(3-acetamido-N-(2-methoxyacetyl)anilino)propanoic acid

C14H18N2O5 — CID 82321782

IUPAC3-(3-acetamido-N-(2-methoxyacetyl)anilino)propanoic acid
SMILESCOCC(=O)N(CCC(=O)O)c1cccc(NC(C)=O)c1
InChIInChI=1S/C14H18N2O5/c1-10(17)15-11-4-3-5-12(8-11)16(7-6-14(19)20)13(18)9-21-2/h3-5,8H,6-7,9H2,1-2H3,(H,15,17)(H,19,20)
InChIKeyQVFQIPXCLFXANV-UHFFFAOYSA-N
MW294.31 g/mol
LogP1.10
Rot. Bonds7

About 3-(3-acetamido-N-(2-methoxyacetyl)anilino)propanoic acid

3-(3-acetamido-N-(2-methoxyacetyl)anilino)propanoic acid (PubChem CID 82321782) has the molecular formula C14H18N2O5 and a molecular weight of 294.31 g/mol. Its IUPAC name is 3-(3-acetamido-N-(2-methoxyacetyl)anilino)propanoic acid.

Molecular Properties

Compound Name3-(3-acetamido-N-(2-methoxyacetyl)anilino)propanoic acid
PubChem CID82321782
Molecular FormulaC14H18N2O5
Molecular Weight294.31 g/mol
Exact Mass294.12
IUPAC Name3-(3-acetamido-N-(2-methoxyacetyl)anilino)propanoic acid
SMILESCOCC(=O)N(CCC(=O)O)c1cccc(NC(C)=O)c1
InChIInChI=1S/C14H18N2O5/c1-10(17)15-11-4-3-5-12(8-11)16(7-6-14(19)20)13(18)9-21-2/h3-5,8H,6-7,9H2,1-2H3,(H,15,17)(H,19,20)
InChIKeyQVFQIPXCLFXANV-UHFFFAOYSA-N
XLogP1.10
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[N-(2-methoxyacetyl)-3-(trifluoromethyl)anilino]propanoic acid
CID 82321756
3-(3-acetamido-N-acetylanilino)-N-methyl-N-phenylpropanamide
CID 113131003
3-(4-fluoro-N-(2-methoxyacetyl)anilino)propanoic acid
CID 82321758
3-[4-(diethylamino)-N-(2-methoxyacetyl)anilino]propanoic acid
CID 95534693
3-(4-ethyl-N-(2-methoxyacetyl)anilino)propanoic acid
CID 82321773
3-(3-acetamido-N-acetylanilino)-N-(4-methoxyphenyl)propanamide
CID 113131035
3-(3-acetamido-N-acetylanilino)-N-tert-butylpropanamide
CID 113130989
3-[3-acetyl-N-(3-methylbutanoyl)anilino]propanoic acid
CID 82321334
3-(3-acetamido-N-acetylanilino)-N-(2,6-diethylphenyl)propanamide
CID 113131019
3-(3-acetamido-N-acetylanilino)-N-(4-fluorophenyl)propanamide
CID 113131024
3-(3-methyl-N-propanoylanilino)propanoic acid
CID 28764164
3-(N-(2-propan-2-yloxyacetyl)anilino)propanoic acid
CID 112602036

Frequently Asked Questions

What is the IUPAC name of 3-(3-acetamido-N-(2-methoxyacetyl)anilino)propanoic acid?
The IUPAC name of 3-(3-acetamido-N-(2-methoxyacetyl)anilino)propanoic acid (CID 82321782) is 3-(3-acetamido-N-(2-methoxyacetyl)anilino)propanoic acid.
What is the SMILES notation for 3-(3-acetamido-N-(2-methoxyacetyl)anilino)propanoic acid?
The canonical SMILES for 3-(3-acetamido-N-(2-methoxyacetyl)anilino)propanoic acid is COCC(=O)N(CCC(=O)O)c1cccc(NC(C)=O)c1.
What is the InChIKey of 3-(3-acetamido-N-(2-methoxyacetyl)anilino)propanoic acid?
The InChIKey is QVFQIPXCLFXANV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O5/c1-10(17)15-11-4-3-5-12(8-11)16(7-6-14(19)20)13(18)9-21-2/h3-5,8H,6-7,9H2,1-2H3,(H,15,17)(H,19,20).
What are the key properties of 3-(3-acetamido-N-(2-methoxyacetyl)anilino)propanoic acid?
3-(3-acetamido-N-(2-methoxyacetyl)anilino)propanoic acid has a molecular weight of 294.31 g/mol, XLogP of 1.10, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-acetamido-N-(2-methoxyacetyl)anilino)propanoic acid is sourced from PubChem (CID 82321782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).