2-[[4-[(1R)-1-amino-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperidin-1-yl]methyl]-1-methylcyclobutane-1-carboxylic acid

C18H32N2O4 — CID 69460776

IUPAC2-[[4-[(1R)-1-amino-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperidin-1-yl]methyl]-1-methylcyclobutane-1-carboxylic acid
SMILESCC(C)(C)OC(=O)[C@H](N)C1CCN(CC2CCC2(C)C(=O)O)CC1
InChIInChI=1S/C18H32N2O4/c1-17(2,3)24-15(21)14(19)12-6-9-20(10-7-12)11-13-5-8-18(13,4)16(22)23/h12-14H,5-11,19H2,1-4H3,(H,22,23)/t13?,14-,18?/m1/s1
InChIKeyHYZOEPZDVCJCBS-TXKKKEFDSA-N
MW340.46 g/mol
LogP1.87
Rot. Bonds5

About 2-[[4-[(1R)-1-amino-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperidin-1-yl]methyl]-1-methylcyclobutane-1-carboxylic acid

2-[[4-[(1R)-1-amino-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperidin-1-yl]methyl]-1-methylcyclobutane-1-carboxylic acid (PubChem CID 69460776) has the molecular formula C18H32N2O4 and a molecular weight of 340.46 g/mol. Its IUPAC name is 2-[[4-[(1R)-1-amino-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperidin-1-yl]methyl]-1-methylcyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[4-[(1R)-1-amino-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperidin-1-yl]methyl]-1-methylcyclobutane-1-carboxylic acid
PubChem CID69460776
Molecular FormulaC18H32N2O4
Molecular Weight340.46 g/mol
Exact Mass340.24
IUPAC Name2-[[4-[(1R)-1-amino-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperidin-1-yl]methyl]-1-methylcyclobutane-1-carboxylic acid
SMILESCC(C)(C)OC(=O)[C@H](N)C1CCN(CC2CCC2(C)C(=O)O)CC1
InChIInChI=1S/C18H32N2O4/c1-17(2,3)24-15(21)14(19)12-6-9-20(10-7-12)11-13-5-8-18(13,4)16(22)23/h12-14H,5-11,19H2,1-4H3,(H,22,23)/t13?,14-,18?/m1/s1
InChIKeyHYZOEPZDVCJCBS-TXKKKEFDSA-N
XLogP1.87
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.46
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(1R)-1-amino-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperidin-1-yl]methyl]-1-methylcyclobutane-1-carboxylic acid?
The IUPAC name of 2-[[4-[(1R)-1-amino-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperidin-1-yl]methyl]-1-methylcyclobutane-1-carboxylic acid (CID 69460776) is 2-[[4-[(1R)-1-amino-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperidin-1-yl]methyl]-1-methylcyclobutane-1-carboxylic acid.
What is the SMILES notation for 2-[[4-[(1R)-1-amino-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperidin-1-yl]methyl]-1-methylcyclobutane-1-carboxylic acid?
The canonical SMILES for 2-[[4-[(1R)-1-amino-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperidin-1-yl]methyl]-1-methylcyclobutane-1-carboxylic acid is CC(C)(C)OC(=O)[C@H](N)C1CCN(CC2CCC2(C)C(=O)O)CC1.
What is the InChIKey of 2-[[4-[(1R)-1-amino-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperidin-1-yl]methyl]-1-methylcyclobutane-1-carboxylic acid?
The InChIKey is HYZOEPZDVCJCBS-TXKKKEFDSA-N. The full InChI is InChI=1S/C18H32N2O4/c1-17(2,3)24-15(21)14(19)12-6-9-20(10-7-12)11-13-5-8-18(13,4)16(22)23/h12-14H,5-11,19H2,1-4H3,(H,22,23)/t13?,14-,18?/m1/s1.
What are the key properties of 2-[[4-[(1R)-1-amino-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperidin-1-yl]methyl]-1-methylcyclobutane-1-carboxylic acid?
2-[[4-[(1R)-1-amino-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperidin-1-yl]methyl]-1-methylcyclobutane-1-carboxylic acid has a molecular weight of 340.46 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(1R)-1-amino-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperidin-1-yl]methyl]-1-methylcyclobutane-1-carboxylic acid is sourced from PubChem (CID 69460776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).