cyclopropane;2-methyl-3-[3-[[3-(2-methylpyrazol-3-yl)oxycyclobutyl]methoxy]phenyl]propanoic acid

C22H30N2O4 — CID 144899381

IUPACcyclopropane;2-methyl-3-[3-[[3-(2-methylpyrazol-3-yl)oxycyclobutyl]methoxy]phenyl]propanoic acid
SMILESC1CC1.CC(Cc1cccc(OCC2CC(Oc3ccnn3C)C2)c1)C(=O)O
InChIInChI=1S/C19H24N2O4.C3H6/c1-13(19(22)23)8-14-4-3-5-16(9-14)24-12-15-10-17(11-15)25-18-6-7-20-21(18)2;1-2-3-1/h3-7,9,13,15,17H,8,10-12H2,1-2H3,(H,22,23);1-3H2
InChIKeyVKIBSRPWIKUDPJ-UHFFFAOYSA-N
MW386.49 g/mol
LogP4.09
Rot. Bonds8

About cyclopropane;2-methyl-3-[3-[[3-(2-methylpyrazol-3-yl)oxycyclobutyl]methoxy]phenyl]propanoic acid

cyclopropane;2-methyl-3-[3-[[3-(2-methylpyrazol-3-yl)oxycyclobutyl]methoxy]phenyl]propanoic acid (PubChem CID 144899381) has the molecular formula C22H30N2O4 and a molecular weight of 386.49 g/mol. Its IUPAC name is cyclopropane;2-methyl-3-[3-[[3-(2-methylpyrazol-3-yl)oxycyclobutyl]methoxy]phenyl]propanoic acid.

Molecular Properties

Compound Namecyclopropane;2-methyl-3-[3-[[3-(2-methylpyrazol-3-yl)oxycyclobutyl]methoxy]phenyl]propanoic acid
PubChem CID144899381
Molecular FormulaC22H30N2O4
Molecular Weight386.49 g/mol
Exact Mass386.22
IUPAC Namecyclopropane;2-methyl-3-[3-[[3-(2-methylpyrazol-3-yl)oxycyclobutyl]methoxy]phenyl]propanoic acid
SMILESC1CC1.CC(Cc1cccc(OCC2CC(Oc3ccnn3C)C2)c1)C(=O)O
InChIInChI=1S/C19H24N2O4.C3H6/c1-13(19(22)23)8-14-4-3-5-16(9-14)24-12-15-10-17(11-15)25-18-6-7-20-21(18)2;1-2-3-1/h3-7,9,13,15,17H,8,10-12H2,1-2H3,(H,22,23);1-3H2
InChIKeyVKIBSRPWIKUDPJ-UHFFFAOYSA-N
XLogP4.09
TPSA73.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.49
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 144899368
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3-[3-(1,1-dioxothietan-3-yl)oxyphenyl]-2-methylpropanoic acid
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ethane;methyl (2S)-3-[3-[[3-(2-methoxy-4-pyridinyl)cyclobutyl]methoxy]phenyl]-2-methylpropanoate
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CID 67530586
(2S)-3-[3-[[(1S,2S)-2-[2-fluoro-5-(trifluoromethoxy)phenyl]cyclopropyl]methoxy]phenyl]-2-methylpropanoic acid
CID 162617632
3-[3-(cyclopropylmethoxy)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
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Frequently Asked Questions

What is the IUPAC name of cyclopropane;2-methyl-3-[3-[[3-(2-methylpyrazol-3-yl)oxycyclobutyl]methoxy]phenyl]propanoic acid?
The IUPAC name of cyclopropane;2-methyl-3-[3-[[3-(2-methylpyrazol-3-yl)oxycyclobutyl]methoxy]phenyl]propanoic acid (CID 144899381) is cyclopropane;2-methyl-3-[3-[[3-(2-methylpyrazol-3-yl)oxycyclobutyl]methoxy]phenyl]propanoic acid.
What is the SMILES notation for cyclopropane;2-methyl-3-[3-[[3-(2-methylpyrazol-3-yl)oxycyclobutyl]methoxy]phenyl]propanoic acid?
The canonical SMILES for cyclopropane;2-methyl-3-[3-[[3-(2-methylpyrazol-3-yl)oxycyclobutyl]methoxy]phenyl]propanoic acid is C1CC1.CC(Cc1cccc(OCC2CC(Oc3ccnn3C)C2)c1)C(=O)O.
What is the InChIKey of cyclopropane;2-methyl-3-[3-[[3-(2-methylpyrazol-3-yl)oxycyclobutyl]methoxy]phenyl]propanoic acid?
The InChIKey is VKIBSRPWIKUDPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4.C3H6/c1-13(19(22)23)8-14-4-3-5-16(9-14)24-12-15-10-17(11-15)25-18-6-7-20-21(18)2;1-2-3-1/h3-7,9,13,15,17H,8,10-12H2,1-2H3,(H,22,23);1-3H2.
What are the key properties of cyclopropane;2-methyl-3-[3-[[3-(2-methylpyrazol-3-yl)oxycyclobutyl]methoxy]phenyl]propanoic acid?
cyclopropane;2-methyl-3-[3-[[3-(2-methylpyrazol-3-yl)oxycyclobutyl]methoxy]phenyl]propanoic acid has a molecular weight of 386.49 g/mol, XLogP of 4.09, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropane;2-methyl-3-[3-[[3-(2-methylpyrazol-3-yl)oxycyclobutyl]methoxy]phenyl]propanoic acid is sourced from PubChem (CID 144899381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).