2-[1-[4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]cyclobutyl]acetic acid

C23H34N2O3 — CID 118297846

IUPAC2-[1-[4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]cyclobutyl]acetic acid
SMILESCOCC1(CN[C@@H]2CC2c2ccccc2)CCN(C2(CC(=O)O)CCC2)CC1
InChIInChI=1S/C23H34N2O3/c1-28-17-22(16-24-20-14-19(20)18-6-3-2-4-7-18)10-12-25(13-11-22)23(8-5-9-23)15-21(26)27/h2-4,6-7,19-20,24H,5,8-17H2,1H3,(H,26,27)/t19?,20-/m1/s1
InChIKeyNYIWGYPPKJPGTJ-GFOWMXPYSA-N
MW386.54 g/mol
LogP3.26
Rot. Bonds9

About 2-[1-[4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]cyclobutyl]acetic acid

2-[1-[4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]cyclobutyl]acetic acid (PubChem CID 118297846) has the molecular formula C23H34N2O3 and a molecular weight of 386.54 g/mol. Its IUPAC name is 2-[1-[4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]cyclobutyl]acetic acid
PubChem CID118297846
Molecular FormulaC23H34N2O3
Molecular Weight386.54 g/mol
Exact Mass386.26
IUPAC Name2-[1-[4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]cyclobutyl]acetic acid
SMILESCOCC1(CN[C@@H]2CC2c2ccccc2)CCN(C2(CC(=O)O)CCC2)CC1
InChIInChI=1S/C23H34N2O3/c1-28-17-22(16-24-20-14-19(20)18-6-3-2-4-7-18)10-12-25(13-11-22)23(8-5-9-23)15-21(26)27/h2-4,6-7,19-20,24H,5,8-17H2,1H3,(H,26,27)/t19?,20-/m1/s1
InChIKeyNYIWGYPPKJPGTJ-GFOWMXPYSA-N
XLogP3.26
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.54
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]cyclobutyl]acetic acid (CID 118297846) is 2-[1-[4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]cyclobutyl]acetic acid is COCC1(CN[C@@H]2CC2c2ccccc2)CCN(C2(CC(=O)O)CCC2)CC1.
What is the InChIKey of 2-[1-[4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]cyclobutyl]acetic acid?
The InChIKey is NYIWGYPPKJPGTJ-GFOWMXPYSA-N. The full InChI is InChI=1S/C23H34N2O3/c1-28-17-22(16-24-20-14-19(20)18-6-3-2-4-7-18)10-12-25(13-11-22)23(8-5-9-23)15-21(26)27/h2-4,6-7,19-20,24H,5,8-17H2,1H3,(H,26,27)/t19?,20-/m1/s1.
What are the key properties of 2-[1-[4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]cyclobutyl]acetic acid?
2-[1-[4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]cyclobutyl]acetic acid has a molecular weight of 386.54 g/mol, XLogP of 3.26, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]cyclobutyl]acetic acid is sourced from PubChem (CID 118297846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).