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

C17H23NO5 — CID 119202865

IUPAC2-[cyclopropyl-[3-(3-methoxypropoxy)benzoyl]amino]propanoic acid
SMILESCOCCCOc1cccc(C(=O)N(C2CC2)C(C)C(=O)O)c1
InChIInChI=1S/C17H23NO5/c1-12(17(20)21)18(14-7-8-14)16(19)13-5-3-6-15(11-13)23-10-4-9-22-2/h3,5-6,11-12,14H,4,7-10H2,1-2H3,(H,20,21)
InChIKeyAXWXSBQKQQNCEU-UHFFFAOYSA-N
MW321.37 g/mol
LogP2.18
Rot. Bonds9

About 2-[cyclopropyl-[3-(3-methoxypropoxy)benzoyl]amino]propanoic acid

2-[cyclopropyl-[3-(3-methoxypropoxy)benzoyl]amino]propanoic acid (PubChem CID 119202865) has the molecular formula C17H23NO5 and a molecular weight of 321.37 g/mol. Its IUPAC name is 2-[cyclopropyl-[3-(3-methoxypropoxy)benzoyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[cyclopropyl-[3-(3-methoxypropoxy)benzoyl]amino]propanoic acid
PubChem CID119202865
Molecular FormulaC17H23NO5
Molecular Weight321.37 g/mol
Exact Mass321.16
IUPAC Name2-[cyclopropyl-[3-(3-methoxypropoxy)benzoyl]amino]propanoic acid
SMILESCOCCCOc1cccc(C(=O)N(C2CC2)C(C)C(=O)O)c1
InChIInChI=1S/C17H23NO5/c1-12(17(20)21)18(14-7-8-14)16(19)13-5-3-6-15(11-13)23-10-4-9-22-2/h3,5-6,11-12,14H,4,7-10H2,1-2H3,(H,20,21)
InChIKeyAXWXSBQKQQNCEU-UHFFFAOYSA-N
XLogP2.18
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.37
LogP ≤ 52.18
H-Bond Donors ≤ 51
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-methoxypropoxy)-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119441938
4-[[3-(3-methoxypropoxy)benzoyl]amino]cyclohexane-1-carboxylic acid
CID 119229681
2-[cyclopropyl-(3-methylsulfonylbenzoyl)amino]propanoic acid
CID 119202183
3-[3-(2-methoxyethoxy)propoxy]benzoic acid
CID 63073270
3-(3-methoxypropoxy)-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119530577
3-(2-methoxyethoxy)-N-methyl-N-piperidin-4-ylbenzamide
CID 119441131
3-(2-methoxyethoxy)-N-piperidin-4-yl-N-propylbenzamide
CID 119822999
N-cyclopropyl-N-(2-hydroxyethyl)-3-propoxybenzamide
CID 62920027
1-[3-(4-methoxybutoxy)phenyl]ethanone
CID 57239152
3-[[3-(3-methoxypropoxy)benzoyl]amino]propanoic acid
CID 119177226
trans-(1S,2S)-2-[[3-(3-methoxypropoxy)benzoyl]amino]cyclohexane-1-carboxylic acid
CID 97324364
N-[(2S)-1-aminopropan-2-yl]-3-(3-methoxypropoxy)benzamide
CID 120508145

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[3-(3-methoxypropoxy)benzoyl]amino]propanoic acid?
The IUPAC name of 2-[cyclopropyl-[3-(3-methoxypropoxy)benzoyl]amino]propanoic acid (CID 119202865) is 2-[cyclopropyl-[3-(3-methoxypropoxy)benzoyl]amino]propanoic acid.
What is the SMILES notation for 2-[cyclopropyl-[3-(3-methoxypropoxy)benzoyl]amino]propanoic acid?
The canonical SMILES for 2-[cyclopropyl-[3-(3-methoxypropoxy)benzoyl]amino]propanoic acid is COCCCOc1cccc(C(=O)N(C2CC2)C(C)C(=O)O)c1.
What is the InChIKey of 2-[cyclopropyl-[3-(3-methoxypropoxy)benzoyl]amino]propanoic acid?
The InChIKey is AXWXSBQKQQNCEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO5/c1-12(17(20)21)18(14-7-8-14)16(19)13-5-3-6-15(11-13)23-10-4-9-22-2/h3,5-6,11-12,14H,4,7-10H2,1-2H3,(H,20,21).
What are the key properties of 2-[cyclopropyl-[3-(3-methoxypropoxy)benzoyl]amino]propanoic acid?
2-[cyclopropyl-[3-(3-methoxypropoxy)benzoyl]amino]propanoic acid has a molecular weight of 321.37 g/mol, XLogP of 2.18, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[3-(3-methoxypropoxy)benzoyl]amino]propanoic acid is sourced from PubChem (CID 119202865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).