2-cyclopropyl-2-(cyclopropylamino)-3-[2-(3-methoxypropoxy)ethoxy]propanoic acid

C15H27NO5 — CID 103180133

IUPAC2-cyclopropyl-2-(cyclopropylamino)-3-[2-(3-methoxypropoxy)ethoxy]propanoic acid
SMILESCOCCCOCCOCC(NC1CC1)(C(=O)O)C1CC1
InChIInChI=1S/C15H27NO5/c1-19-7-2-8-20-9-10-21-11-15(14(17)18,12-3-4-12)16-13-5-6-13/h12-13,16H,2-11H2,1H3,(H,17,18)
InChIKeyYITUYKWNMSZSLN-UHFFFAOYSA-N
MW301.38 g/mol
LogP1.04
Rot. Bonds13

About 2-cyclopropyl-2-(cyclopropylamino)-3-[2-(3-methoxypropoxy)ethoxy]propanoic acid

2-cyclopropyl-2-(cyclopropylamino)-3-[2-(3-methoxypropoxy)ethoxy]propanoic acid (PubChem CID 103180133) has the molecular formula C15H27NO5 and a molecular weight of 301.38 g/mol. Its IUPAC name is 2-cyclopropyl-2-(cyclopropylamino)-3-[2-(3-methoxypropoxy)ethoxy]propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-(cyclopropylamino)-3-[2-(3-methoxypropoxy)ethoxy]propanoic acid
PubChem CID103180133
Molecular FormulaC15H27NO5
Molecular Weight301.38 g/mol
Exact Mass301.19
IUPAC Name2-cyclopropyl-2-(cyclopropylamino)-3-[2-(3-methoxypropoxy)ethoxy]propanoic acid
SMILESCOCCCOCCOCC(NC1CC1)(C(=O)O)C1CC1
InChIInChI=1S/C15H27NO5/c1-19-7-2-8-20-9-10-21-11-15(14(17)18,12-3-4-12)16-13-5-6-13/h12-13,16H,2-11H2,1H3,(H,17,18)
InChIKeyYITUYKWNMSZSLN-UHFFFAOYSA-N
XLogP1.04
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-cyclopropyl-2-(cyclopropylamino)-3-[3-(2-methoxyethoxy)propoxy]propanoic acid
CID 103404934
2-cyclopropyl-2-(cyclopropylamino)-3-(2-methoxyethylsulfanyl)propanoic acid
CID 63915892
methyl 2-cyclopropyl-2-(cyclopropylamino)-3-(2-propoxyethoxy)propanoate
CID 63920027
methyl 2-cyclopropyl-2-(cyclopropylamino)-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propanoate
CID 115942541
2-cyclopropyl-2-(cyclopropylamino)-3-heptoxypropanamide
CID 63920728
ethyl 2-cyclopropyl-3-(3-methoxypropoxy)-2-(methylamino)propanoate
CID 63918950
2-cyclopropyl-2-(cyclopropylamino)-3-phenoxypropanoic acid
CID 63919605
ethyl 2-(cyclopropylamino)-3-[2-(3-methoxypropoxy)ethoxy]-2-methylpropanoate
CID 103180037
methyl 2-amino-2-cyclopropyl-3-[3-(2-methoxyethoxy)propoxy]propanoate
CID 103404790
methyl 2-cyclopropyl-2-(cyclopropylamino)-3-(2,2,2-trifluoroethoxy)propanoate
CID 63919975
methyl 2-(cyclopropylamino)-4-[3-(2-methoxyethoxy)propoxy]-2-methylbutanoate
CID 103404585
2-cyclopropyl-2-(cyclopropylamino)-3-(2-methylphenoxy)propanoic acid
CID 63919213

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(cyclopropylamino)-3-[2-(3-methoxypropoxy)ethoxy]propanoic acid?
The IUPAC name of 2-cyclopropyl-2-(cyclopropylamino)-3-[2-(3-methoxypropoxy)ethoxy]propanoic acid (CID 103180133) is 2-cyclopropyl-2-(cyclopropylamino)-3-[2-(3-methoxypropoxy)ethoxy]propanoic acid.
What is the SMILES notation for 2-cyclopropyl-2-(cyclopropylamino)-3-[2-(3-methoxypropoxy)ethoxy]propanoic acid?
The canonical SMILES for 2-cyclopropyl-2-(cyclopropylamino)-3-[2-(3-methoxypropoxy)ethoxy]propanoic acid is COCCCOCCOCC(NC1CC1)(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(cyclopropylamino)-3-[2-(3-methoxypropoxy)ethoxy]propanoic acid?
The InChIKey is YITUYKWNMSZSLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO5/c1-19-7-2-8-20-9-10-21-11-15(14(17)18,12-3-4-12)16-13-5-6-13/h12-13,16H,2-11H2,1H3,(H,17,18).
What are the key properties of 2-cyclopropyl-2-(cyclopropylamino)-3-[2-(3-methoxypropoxy)ethoxy]propanoic acid?
2-cyclopropyl-2-(cyclopropylamino)-3-[2-(3-methoxypropoxy)ethoxy]propanoic acid has a molecular weight of 301.38 g/mol, XLogP of 1.04, 13 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(cyclopropylamino)-3-[2-(3-methoxypropoxy)ethoxy]propanoic acid is sourced from PubChem (CID 103180133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).