3-[[3-(3-methoxypropoxy)benzoyl]amino]propanoic acid

C14H19NO5 — CID 119177226

IUPAC3-[[3-(3-methoxypropoxy)benzoyl]amino]propanoic acid
SMILESCOCCCOc1cccc(C(=O)NCCC(=O)O)c1
InChIInChI=1S/C14H19NO5/c1-19-8-3-9-20-12-5-2-4-11(10-12)14(18)15-7-6-13(16)17/h2,4-5,10H,3,6-9H2,1H3,(H,15,18)(H,16,17)
InChIKeyGAAUKLPPDUGASW-UHFFFAOYSA-N
MW281.31 g/mol
LogP1.31
Rot. Bonds9

About 3-[[3-(3-methoxypropoxy)benzoyl]amino]propanoic acid

3-[[3-(3-methoxypropoxy)benzoyl]amino]propanoic acid (PubChem CID 119177226) has the molecular formula C14H19NO5 and a molecular weight of 281.31 g/mol. Its IUPAC name is 3-[[3-(3-methoxypropoxy)benzoyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[3-(3-methoxypropoxy)benzoyl]amino]propanoic acid
PubChem CID119177226
Molecular FormulaC14H19NO5
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Name3-[[3-(3-methoxypropoxy)benzoyl]amino]propanoic acid
SMILESCOCCCOc1cccc(C(=O)NCCC(=O)O)c1
InChIInChI=1S/C14H19NO5/c1-19-8-3-9-20-12-5-2-4-11(10-12)14(18)15-7-6-13(16)17/h2,4-5,10H,3,6-9H2,1H3,(H,15,18)(H,16,17)
InChIKeyGAAUKLPPDUGASW-UHFFFAOYSA-N
XLogP1.31
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[[3-(2-methoxyethoxy)benzoyl]amino]propanoic acid
CID 119177030
3-(3-methoxypropoxy)-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119500932
2-[3-(2-methoxyethylcarbamoyl)phenoxy]acetic acid
CID 28762787
N-(2-aminoethyl)-3-(2-methoxyethoxy)benzamide
CID 119381991
N-(2-amino-2-methylpropyl)-3-(3-methoxypropoxy)benzamide
CID 119626863
3-propoxy-N-[3-[(3-propoxybenzoyl)amino]propyl]benzamide
CID 4960565
3-propoxy-N-[2-[(3-propoxybenzoyl)amino]ethyl]benzamide
CID 4960567
N-[2-(ethylamino)ethyl]-3-(2-methoxyethoxy)benzamide
CID 119504539
3-[2-[(3-methoxybenzoyl)amino]ethoxy]propanoic acid
CID 112739190
3-(3-methoxypropoxy)-N-(3-piperazin-1-ylpropyl)benzamide
CID 119391567
3-methoxy-N-[3-(3-methylphenoxy)propyl]benzamide
CID 24533352
N-[4-(3-methoxypropylcarbamoyl)phenyl]-3-propoxybenzamide
CID 17205121

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(3-methoxypropoxy)benzoyl]amino]propanoic acid?
The IUPAC name of 3-[[3-(3-methoxypropoxy)benzoyl]amino]propanoic acid (CID 119177226) is 3-[[3-(3-methoxypropoxy)benzoyl]amino]propanoic acid.
What is the SMILES notation for 3-[[3-(3-methoxypropoxy)benzoyl]amino]propanoic acid?
The canonical SMILES for 3-[[3-(3-methoxypropoxy)benzoyl]amino]propanoic acid is COCCCOc1cccc(C(=O)NCCC(=O)O)c1.
What is the InChIKey of 3-[[3-(3-methoxypropoxy)benzoyl]amino]propanoic acid?
The InChIKey is GAAUKLPPDUGASW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO5/c1-19-8-3-9-20-12-5-2-4-11(10-12)14(18)15-7-6-13(16)17/h2,4-5,10H,3,6-9H2,1H3,(H,15,18)(H,16,17).
What are the key properties of 3-[[3-(3-methoxypropoxy)benzoyl]amino]propanoic acid?
3-[[3-(3-methoxypropoxy)benzoyl]amino]propanoic acid has a molecular weight of 281.31 g/mol, XLogP of 1.31, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(3-methoxypropoxy)benzoyl]amino]propanoic acid is sourced from PubChem (CID 119177226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).