[(2R)-5-hydroxy-2-methylpentyl] N-(2-methylbutan-2-yl)carbamate

C12H25NO3 — CID 175362440

IUPAC[(2R)-5-hydroxy-2-methylpentyl] N-(2-methylbutan-2-yl)carbamate
SMILESCCC(C)(C)NC(=O)OC[C@H](C)CCCO
InChIInChI=1S/C12H25NO3/c1-5-12(3,4)13-11(15)16-9-10(2)7-6-8-14/h10,14H,5-9H2,1-4H3,(H,13,15)/t10-/m1/s1
InChIKeyVQZJYBWPEHDIPL-SNVBAGLBSA-N
MW231.34 g/mol
LogP2.31
Rot. Bonds7

About [(2R)-5-hydroxy-2-methylpentyl] N-(2-methylbutan-2-yl)carbamate

[(2R)-5-hydroxy-2-methylpentyl] N-(2-methylbutan-2-yl)carbamate (PubChem CID 175362440) has the molecular formula C12H25NO3 and a molecular weight of 231.34 g/mol. Its IUPAC name is [(2R)-5-hydroxy-2-methylpentyl] N-(2-methylbutan-2-yl)carbamate.

Molecular Properties

Compound Name[(2R)-5-hydroxy-2-methylpentyl] N-(2-methylbutan-2-yl)carbamate
PubChem CID175362440
Molecular FormulaC12H25NO3
Molecular Weight231.34 g/mol
Exact Mass231.18
IUPAC Name[(2R)-5-hydroxy-2-methylpentyl] N-(2-methylbutan-2-yl)carbamate
SMILESCCC(C)(C)NC(=O)OC[C@H](C)CCCO
InChIInChI=1S/C12H25NO3/c1-5-12(3,4)13-11(15)16-9-10(2)7-6-8-14/h10,14H,5-9H2,1-4H3,(H,13,15)/t10-/m1/s1
InChIKeyVQZJYBWPEHDIPL-SNVBAGLBSA-N
XLogP2.31
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2R)-5-hydroxy-2-methylpentyl] N-(2-methylbutan-2-yl)carbamate?
The IUPAC name of [(2R)-5-hydroxy-2-methylpentyl] N-(2-methylbutan-2-yl)carbamate (CID 175362440) is [(2R)-5-hydroxy-2-methylpentyl] N-(2-methylbutan-2-yl)carbamate.
What is the SMILES notation for [(2R)-5-hydroxy-2-methylpentyl] N-(2-methylbutan-2-yl)carbamate?
The canonical SMILES for [(2R)-5-hydroxy-2-methylpentyl] N-(2-methylbutan-2-yl)carbamate is CCC(C)(C)NC(=O)OC[C@H](C)CCCO.
What is the InChIKey of [(2R)-5-hydroxy-2-methylpentyl] N-(2-methylbutan-2-yl)carbamate?
The InChIKey is VQZJYBWPEHDIPL-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H25NO3/c1-5-12(3,4)13-11(15)16-9-10(2)7-6-8-14/h10,14H,5-9H2,1-4H3,(H,13,15)/t10-/m1/s1.
What are the key properties of [(2R)-5-hydroxy-2-methylpentyl] N-(2-methylbutan-2-yl)carbamate?
[(2R)-5-hydroxy-2-methylpentyl] N-(2-methylbutan-2-yl)carbamate has a molecular weight of 231.34 g/mol, XLogP of 2.31, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-5-hydroxy-2-methylpentyl] N-(2-methylbutan-2-yl)carbamate is sourced from PubChem (CID 175362440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).