[(2S,3R)-1-cyclohexyl-3,4,5-trihydroxypentan-2-yl] carbamate

C12H23NO5 — CID 67723675

IUPAC[(2S,3R)-1-cyclohexyl-3,4,5-trihydroxypentan-2-yl] carbamate
SMILESNC(=O)O[C@@H](CC1CCCCC1)[C@H](O)C(O)CO
InChIInChI=1S/C12H23NO5/c13-12(17)18-10(11(16)9(15)7-14)6-8-4-2-1-3-5-8/h8-11,14-16H,1-7H2,(H2,13,17)/t9?,10-,11+/m0/s1
InChIKeyBFXCJEREKUFMAR-QXXIUIOUSA-N
MW261.32 g/mol
LogP0.13
Rot. Bonds6

About [(2S,3R)-1-cyclohexyl-3,4,5-trihydroxypentan-2-yl] carbamate

[(2S,3R)-1-cyclohexyl-3,4,5-trihydroxypentan-2-yl] carbamate (PubChem CID 67723675) has the molecular formula C12H23NO5 and a molecular weight of 261.32 g/mol. Its IUPAC name is [(2S,3R)-1-cyclohexyl-3,4,5-trihydroxypentan-2-yl] carbamate.

Molecular Properties

Compound Name[(2S,3R)-1-cyclohexyl-3,4,5-trihydroxypentan-2-yl] carbamate
PubChem CID67723675
Molecular FormulaC12H23NO5
Molecular Weight261.32 g/mol
Exact Mass261.16
IUPAC Name[(2S,3R)-1-cyclohexyl-3,4,5-trihydroxypentan-2-yl] carbamate
SMILESNC(=O)O[C@@H](CC1CCCCC1)[C@H](O)C(O)CO
InChIInChI=1S/C12H23NO5/c13-12(17)18-10(11(16)9(15)7-14)6-8-4-2-1-3-5-8/h8-11,14-16H,1-7H2,(H2,13,17)/t9?,10-,11+/m0/s1
InChIKeyBFXCJEREKUFMAR-QXXIUIOUSA-N
XLogP0.13
TPSA113.01 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 50.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(2S,3R)-1-cyclohexyl-3,4,5-trihydroxypentan-2-yl] carbamate?
The IUPAC name of [(2S,3R)-1-cyclohexyl-3,4,5-trihydroxypentan-2-yl] carbamate (CID 67723675) is [(2S,3R)-1-cyclohexyl-3,4,5-trihydroxypentan-2-yl] carbamate.
What is the SMILES notation for [(2S,3R)-1-cyclohexyl-3,4,5-trihydroxypentan-2-yl] carbamate?
The canonical SMILES for [(2S,3R)-1-cyclohexyl-3,4,5-trihydroxypentan-2-yl] carbamate is NC(=O)O[C@@H](CC1CCCCC1)[C@H](O)C(O)CO.
What is the InChIKey of [(2S,3R)-1-cyclohexyl-3,4,5-trihydroxypentan-2-yl] carbamate?
The InChIKey is BFXCJEREKUFMAR-QXXIUIOUSA-N. The full InChI is InChI=1S/C12H23NO5/c13-12(17)18-10(11(16)9(15)7-14)6-8-4-2-1-3-5-8/h8-11,14-16H,1-7H2,(H2,13,17)/t9?,10-,11+/m0/s1.
What are the key properties of [(2S,3R)-1-cyclohexyl-3,4,5-trihydroxypentan-2-yl] carbamate?
[(2S,3R)-1-cyclohexyl-3,4,5-trihydroxypentan-2-yl] carbamate has a molecular weight of 261.32 g/mol, XLogP of 0.13, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R)-1-cyclohexyl-3,4,5-trihydroxypentan-2-yl] carbamate is sourced from PubChem (CID 67723675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).