3-(N-methoxyanilino)propanoic acid

C10H13NO3 — CID 159444920

IUPAC3-(N-methoxyanilino)propanoic acid
SMILESCON(CCC(=O)O)c1ccccc1
InChIInChI=1S/C10H13NO3/c1-14-11(8-7-10(12)13)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,12,13)
InChIKeyLSQHYGWFDPZURP-UHFFFAOYSA-N
MW195.22 g/mol
LogP1.53
Rot. Bonds5

About 3-(N-methoxyanilino)propanoic acid

3-(N-methoxyanilino)propanoic acid (PubChem CID 159444920) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 3-(N-methoxyanilino)propanoic acid.

Molecular Properties

Compound Name3-(N-methoxyanilino)propanoic acid
PubChem CID159444920
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name3-(N-methoxyanilino)propanoic acid
SMILESCON(CCC(=O)O)c1ccccc1
InChIInChI=1S/C10H13NO3/c1-14-11(8-7-10(12)13)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,12,13)
InChIKeyLSQHYGWFDPZURP-UHFFFAOYSA-N
XLogP1.53
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[N-(2-methoxypropanoyl)anilino]propanoic acid
CID 113374728
2-(N-(3-methoxy-3-oxopropyl)anilino)acetic acid
CID 71150881
3-[methoxy(methyl)amino]propanoic acid
CID 55208063
3-(N-(3-methoxycyclobutyl)anilino)propanoic acid
CID 106824286
3-[N-(2-methoxyethylcarbamoyl)anilino]propanoic acid
CID 61187915
3-(N-(2-hydroxy-3-methoxypropyl)anilino)propanoic acid
CID 63930935
3-[N-[2-[(2-methylpropan-2-yl)oxy]ethyl]anilino]propanoic acid
CID 112590567
methyl 4-[N-[2-(N-(4-methoxy-4-oxobutanoyl)anilino)ethyl]anilino]-4-oxobutanoate
CID 2858219
3-[N-[3-(dimethylamino)propyl]anilino]propanoic acid
CID 82319994
3-[N-(diethylcarbamoyl)anilino]propanoic acid
CID 61186963
4-[N-(methoxycarbonylsulfamoyl)anilino]butanoic acid
CID 114462201
4-(N-(2-methoxy-2-oxoethyl)sulfonylanilino)butanoic acid
CID 61357397

Frequently Asked Questions

What is the IUPAC name of 3-(N-methoxyanilino)propanoic acid?
The IUPAC name of 3-(N-methoxyanilino)propanoic acid (CID 159444920) is 3-(N-methoxyanilino)propanoic acid.
What is the SMILES notation for 3-(N-methoxyanilino)propanoic acid?
The canonical SMILES for 3-(N-methoxyanilino)propanoic acid is CON(CCC(=O)O)c1ccccc1.
What is the InChIKey of 3-(N-methoxyanilino)propanoic acid?
The InChIKey is LSQHYGWFDPZURP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-14-11(8-7-10(12)13)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,12,13).
What are the key properties of 3-(N-methoxyanilino)propanoic acid?
3-(N-methoxyanilino)propanoic acid has a molecular weight of 195.22 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-methoxyanilino)propanoic acid is sourced from PubChem (CID 159444920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).