2-[(1R,2S)-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]cyclohexyl]acetic acid

C18H32N2O4 — CID 59025436

IUPAC2-[(1R,2S)-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]cyclohexyl]acetic acid
SMILESCC(C)(C)OC(=O)N1CCC(N[C@H]2CCCC[C@@H]2CC(=O)O)CC1
InChIInChI=1S/C18H32N2O4/c1-18(2,3)24-17(23)20-10-8-14(9-11-20)19-15-7-5-4-6-13(15)12-16(21)22/h13-15,19H,4-12H2,1-3H3,(H,21,22)/t13-,15+/m1/s1
InChIKeyILUAYEBDTFMMMJ-HIFRSBDPSA-N
MW340.46 g/mol
LogP3.01
Rot. Bonds4

About 2-[(1R,2S)-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]cyclohexyl]acetic acid

2-[(1R,2S)-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]cyclohexyl]acetic acid (PubChem CID 59025436) has the molecular formula C18H32N2O4 and a molecular weight of 340.46 g/mol. Its IUPAC name is 2-[(1R,2S)-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[(1R,2S)-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]cyclohexyl]acetic acid
PubChem CID59025436
Molecular FormulaC18H32N2O4
Molecular Weight340.46 g/mol
Exact Mass340.24
IUPAC Name2-[(1R,2S)-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]cyclohexyl]acetic acid
SMILESCC(C)(C)OC(=O)N1CCC(N[C@H]2CCCC[C@@H]2CC(=O)O)CC1
InChIInChI=1S/C18H32N2O4/c1-18(2,3)24-17(23)20-10-8-14(9-11-20)19-15-7-5-4-6-13(15)12-16(21)22/h13-15,19H,4-12H2,1-3H3,(H,21,22)/t13-,15+/m1/s1
InChIKeyILUAYEBDTFMMMJ-HIFRSBDPSA-N
XLogP3.01
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.46
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(1R,2S)-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]cyclohexyl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,2S)-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]cyclohexyl]acetic acid?
The IUPAC name of 2-[(1R,2S)-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]cyclohexyl]acetic acid (CID 59025436) is 2-[(1R,2S)-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[(1R,2S)-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]cyclohexyl]acetic acid?
The canonical SMILES for 2-[(1R,2S)-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]cyclohexyl]acetic acid is CC(C)(C)OC(=O)N1CCC(N[C@H]2CCCC[C@@H]2CC(=O)O)CC1.
What is the InChIKey of 2-[(1R,2S)-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]cyclohexyl]acetic acid?
The InChIKey is ILUAYEBDTFMMMJ-HIFRSBDPSA-N. The full InChI is InChI=1S/C18H32N2O4/c1-18(2,3)24-17(23)20-10-8-14(9-11-20)19-15-7-5-4-6-13(15)12-16(21)22/h13-15,19H,4-12H2,1-3H3,(H,21,22)/t13-,15+/m1/s1.
What are the key properties of 2-[(1R,2S)-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]cyclohexyl]acetic acid?
2-[(1R,2S)-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]cyclohexyl]acetic acid has a molecular weight of 340.46 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,2S)-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]cyclohexyl]acetic acid is sourced from PubChem (CID 59025436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).