(2R)-2-[2-[4-[[(2R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-2-yl]methoxy]cyclohexyl]phenoxy]propanoic acid

C26H40N2O6 — CID 156687869

IUPAC(2R)-2-[2-[4-[[(2R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-2-yl]methoxy]cyclohexyl]phenoxy]propanoic acid
SMILESC[C@@H](Oc1ccccc1C1CCC(OC[C@@H]2NCCCC2NC(=O)OC(C)(C)C)CC1)C(=O)O
InChIInChI=1S/C26H40N2O6/c1-17(24(29)30)33-23-10-6-5-8-20(23)18-11-13-19(14-12-18)32-16-22-21(9-7-15-27-22)28-25(31)34-26(2,3)4/h5-6,8,10,17-19,21-22,27H,7,9,11-16H2,1-4H3,(H,28,31)(H,29,30)/t17-,18?,19?,21?,22+/m1/s1
InChIKeyASCSVIGLONDUPX-QCUFHBPGSA-N
MW476.61 g/mol
LogP4.23
Rot. Bonds8

About (2R)-2-[2-[4-[[(2R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-2-yl]methoxy]cyclohexyl]phenoxy]propanoic acid

(2R)-2-[2-[4-[[(2R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-2-yl]methoxy]cyclohexyl]phenoxy]propanoic acid (PubChem CID 156687869) has the molecular formula C26H40N2O6 and a molecular weight of 476.61 g/mol. Its IUPAC name is (2R)-2-[2-[4-[[(2R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-2-yl]methoxy]cyclohexyl]phenoxy]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[2-[4-[[(2R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-2-yl]methoxy]cyclohexyl]phenoxy]propanoic acid
PubChem CID156687869
Molecular FormulaC26H40N2O6
Molecular Weight476.61 g/mol
Exact Mass476.29
IUPAC Name(2R)-2-[2-[4-[[(2R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-2-yl]methoxy]cyclohexyl]phenoxy]propanoic acid
SMILESC[C@@H](Oc1ccccc1C1CCC(OC[C@@H]2NCCCC2NC(=O)OC(C)(C)C)CC1)C(=O)O
InChIInChI=1S/C26H40N2O6/c1-17(24(29)30)33-23-10-6-5-8-20(23)18-11-13-19(14-12-18)32-16-22-21(9-7-15-27-22)28-25(31)34-26(2,3)4/h5-6,8,10,17-19,21-22,27H,7,9,11-16H2,1-4H3,(H,28,31)(H,29,30)/t17-,18?,19?,21?,22+/m1/s1
InChIKeyASCSVIGLONDUPX-QCUFHBPGSA-N
XLogP4.23
TPSA106.12 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.61
LogP ≤ 54.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (2R)-2-[2-[4-[[(2R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-2-yl]methoxy]cyclohexyl]phenoxy]propanoic acid with MolForge

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Launch Full Analysis

Related Compounds

ethyl (2R)-2-[2-[4-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-2-yl]methoxy]cyclohexyl]phenoxy]propanoate
CID 175829005
tert-butyl N-[2-[(4-phenylcyclohexyl)oxymethyl]pyrrolidin-3-yl]carbamate
CID 154681381
N-[(2R,3S)-2-[[4-(2-propan-2-yloxyphenyl)cyclohexyl]oxymethyl]piperidin-3-yl]methanesulfonamide
CID 156747246
N',N'-dimethyl-N-[(2R,3S)-2-[[4-[2-(2-oxoethoxy)phenyl]cyclohexyl]oxymethyl]piperidin-3-yl]oxamide
CID 166100538
N-[(2R,3S)-2-[[4-[2-[(2S)-butan-2-yl]oxyphenyl]cyclohexyl]oxymethyl]piperidin-3-yl]methanesulfonamide
CID 167117772
(3R)-N-[(2R,3S)-2-[[4-[2-(2-oxoethoxy)phenyl]cyclohexyl]oxymethyl]piperidin-3-yl]oxane-3-carboxamide
CID 166100557
2-[2-[4-[[(2R,3S)-3-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]sulfonylamino]pyrrolidin-2-yl]methoxy]cyclohexyl]phenoxy]acetic acid
CID 164579972
(2S)-4-methyl-N-[(2R,3S)-2-[[4-[2-(2-oxoethoxy)phenyl]cyclohexyl]oxymethyl]piperidin-3-yl]morpholine-2-carboxamide
CID 177003816
2-[2-[4-[(3-hydroxypiperidin-2-yl)methoxy]cyclohexyl]phenoxy]acetic acid
CID 170605373
N-[(2R,3S)-2-[[4-(2-ethoxyphenyl)cyclohexyl]oxymethyl]azepan-3-yl]methanesulfonamide
CID 167278743
tert-butyl N-[2-(2-hydroxyphenyl)piperidin-3-yl]carbamate
CID 84815016
N-benzyl-2,2,2-trifluoro-N-[2-[[4-(2-methoxyphenyl)cyclohexyl]oxymethyl]piperidin-3-yl]acetamide
CID 177003811

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2-[4-[[(2R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-2-yl]methoxy]cyclohexyl]phenoxy]propanoic acid?
The IUPAC name of (2R)-2-[2-[4-[[(2R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-2-yl]methoxy]cyclohexyl]phenoxy]propanoic acid (CID 156687869) is (2R)-2-[2-[4-[[(2R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-2-yl]methoxy]cyclohexyl]phenoxy]propanoic acid.
What is the SMILES notation for (2R)-2-[2-[4-[[(2R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-2-yl]methoxy]cyclohexyl]phenoxy]propanoic acid?
The canonical SMILES for (2R)-2-[2-[4-[[(2R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-2-yl]methoxy]cyclohexyl]phenoxy]propanoic acid is C[C@@H](Oc1ccccc1C1CCC(OC[C@@H]2NCCCC2NC(=O)OC(C)(C)C)CC1)C(=O)O.
What is the InChIKey of (2R)-2-[2-[4-[[(2R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-2-yl]methoxy]cyclohexyl]phenoxy]propanoic acid?
The InChIKey is ASCSVIGLONDUPX-QCUFHBPGSA-N. The full InChI is InChI=1S/C26H40N2O6/c1-17(24(29)30)33-23-10-6-5-8-20(23)18-11-13-19(14-12-18)32-16-22-21(9-7-15-27-22)28-25(31)34-26(2,3)4/h5-6,8,10,17-19,21-22,27H,7,9,11-16H2,1-4H3,(H,28,31)(H,29,30)/t17-,18?,19?,21?,22+/m1/s1.
What are the key properties of (2R)-2-[2-[4-[[(2R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-2-yl]methoxy]cyclohexyl]phenoxy]propanoic acid?
(2R)-2-[2-[4-[[(2R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-2-yl]methoxy]cyclohexyl]phenoxy]propanoic acid has a molecular weight of 476.61 g/mol, XLogP of 4.23, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[2-[4-[[(2R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-2-yl]methoxy]cyclohexyl]phenoxy]propanoic acid is sourced from PubChem (CID 156687869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).