[(1R,2S)-1-cyclopentyl-1-(2-methylpropoxy)propan-2-yl] (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

C20H37NO5 — CID 121466169

IUPAC[(1R,2S)-1-cyclopentyl-1-(2-methylpropoxy)propan-2-yl] (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
SMILESCC(C)CO[C@H](C1CCCC1)[C@H](C)OC(=O)[C@H](C)NC(=O)OC(C)(C)C
InChIInChI=1S/C20H37NO5/c1-13(2)12-24-17(16-10-8-9-11-16)15(4)25-18(22)14(3)21-19(23)26-20(5,6)7/h13-17H,8-12H2,1-7H3,(H,21,23)/t14-,15-,17-/m0/s1
InChIKeyBCZYSJKVGXLELK-ZOBUZTSGSA-N
MW371.52 g/mol
LogP4.06
Rot. Bonds8

About [(1R,2S)-1-cyclopentyl-1-(2-methylpropoxy)propan-2-yl] (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

[(1R,2S)-1-cyclopentyl-1-(2-methylpropoxy)propan-2-yl] (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate (PubChem CID 121466169) has the molecular formula C20H37NO5 and a molecular weight of 371.52 g/mol. Its IUPAC name is [(1R,2S)-1-cyclopentyl-1-(2-methylpropoxy)propan-2-yl] (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate.

Molecular Properties

Compound Name[(1R,2S)-1-cyclopentyl-1-(2-methylpropoxy)propan-2-yl] (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
PubChem CID121466169
Molecular FormulaC20H37NO5
Molecular Weight371.52 g/mol
Exact Mass371.27
IUPAC Name[(1R,2S)-1-cyclopentyl-1-(2-methylpropoxy)propan-2-yl] (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
SMILESCC(C)CO[C@H](C1CCCC1)[C@H](C)OC(=O)[C@H](C)NC(=O)OC(C)(C)C
InChIInChI=1S/C20H37NO5/c1-13(2)12-24-17(16-10-8-9-11-16)15(4)25-18(22)14(3)21-19(23)26-20(5,6)7/h13-17H,8-12H2,1-7H3,(H,21,23)/t14-,15-,17-/m0/s1
InChIKeyBCZYSJKVGXLELK-ZOBUZTSGSA-N
XLogP4.06
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.52
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(1R,2S)-1-cyclopentyl-1-(2-methylpropoxy)propan-2-yl] (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
The IUPAC name of [(1R,2S)-1-cyclopentyl-1-(2-methylpropoxy)propan-2-yl] (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate (CID 121466169) is [(1R,2S)-1-cyclopentyl-1-(2-methylpropoxy)propan-2-yl] (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate.
What is the SMILES notation for [(1R,2S)-1-cyclopentyl-1-(2-methylpropoxy)propan-2-yl] (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
The canonical SMILES for [(1R,2S)-1-cyclopentyl-1-(2-methylpropoxy)propan-2-yl] (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate is CC(C)CO[C@H](C1CCCC1)[C@H](C)OC(=O)[C@H](C)NC(=O)OC(C)(C)C.
What is the InChIKey of [(1R,2S)-1-cyclopentyl-1-(2-methylpropoxy)propan-2-yl] (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
The InChIKey is BCZYSJKVGXLELK-ZOBUZTSGSA-N. The full InChI is InChI=1S/C20H37NO5/c1-13(2)12-24-17(16-10-8-9-11-16)15(4)25-18(22)14(3)21-19(23)26-20(5,6)7/h13-17H,8-12H2,1-7H3,(H,21,23)/t14-,15-,17-/m0/s1.
What are the key properties of [(1R,2S)-1-cyclopentyl-1-(2-methylpropoxy)propan-2-yl] (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
[(1R,2S)-1-cyclopentyl-1-(2-methylpropoxy)propan-2-yl] (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate has a molecular weight of 371.52 g/mol, XLogP of 4.06, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S)-1-cyclopentyl-1-(2-methylpropoxy)propan-2-yl] (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate is sourced from PubChem (CID 121466169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).