[(2R)-2-cyclohexyl-1-hydroxy-3,3-dimethylbutan-2-yl]carbamic acid

C13H25NO3 — CID 67123382

IUPAC[(2R)-2-cyclohexyl-1-hydroxy-3,3-dimethylbutan-2-yl]carbamic acid
SMILESCC(C)(C)[C@](CO)(NC(=O)O)C1CCCCC1
InChIInChI=1S/C13H25NO3/c1-12(2,3)13(9-15,14-11(16)17)10-7-5-4-6-8-10/h10,14-15H,4-9H2,1-3H3,(H,16,17)/t13-/m1/s1
InChIKeyFOOKNAARWYJFJP-CYBMUJFWSA-N
MW243.35 g/mol
LogP2.61
Rot. Bonds3

About [(2R)-2-cyclohexyl-1-hydroxy-3,3-dimethylbutan-2-yl]carbamic acid

[(2R)-2-cyclohexyl-1-hydroxy-3,3-dimethylbutan-2-yl]carbamic acid (PubChem CID 67123382) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is [(2R)-2-cyclohexyl-1-hydroxy-3,3-dimethylbutan-2-yl]carbamic acid.

Molecular Properties

Compound Name[(2R)-2-cyclohexyl-1-hydroxy-3,3-dimethylbutan-2-yl]carbamic acid
PubChem CID67123382
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Name[(2R)-2-cyclohexyl-1-hydroxy-3,3-dimethylbutan-2-yl]carbamic acid
SMILESCC(C)(C)[C@](CO)(NC(=O)O)C1CCCCC1
InChIInChI=1S/C13H25NO3/c1-12(2,3)13(9-15,14-11(16)17)10-7-5-4-6-8-10/h10,14-15H,4-9H2,1-3H3,(H,16,17)/t13-/m1/s1
InChIKeyFOOKNAARWYJFJP-CYBMUJFWSA-N
XLogP2.61
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(2R)-2-cyclohexyl-1-hydroxy-3,3-dimethylbutan-2-yl]carbamic acid?
The IUPAC name of [(2R)-2-cyclohexyl-1-hydroxy-3,3-dimethylbutan-2-yl]carbamic acid (CID 67123382) is [(2R)-2-cyclohexyl-1-hydroxy-3,3-dimethylbutan-2-yl]carbamic acid.
What is the SMILES notation for [(2R)-2-cyclohexyl-1-hydroxy-3,3-dimethylbutan-2-yl]carbamic acid?
The canonical SMILES for [(2R)-2-cyclohexyl-1-hydroxy-3,3-dimethylbutan-2-yl]carbamic acid is CC(C)(C)[C@](CO)(NC(=O)O)C1CCCCC1.
What is the InChIKey of [(2R)-2-cyclohexyl-1-hydroxy-3,3-dimethylbutan-2-yl]carbamic acid?
The InChIKey is FOOKNAARWYJFJP-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H25NO3/c1-12(2,3)13(9-15,14-11(16)17)10-7-5-4-6-8-10/h10,14-15H,4-9H2,1-3H3,(H,16,17)/t13-/m1/s1.
What are the key properties of [(2R)-2-cyclohexyl-1-hydroxy-3,3-dimethylbutan-2-yl]carbamic acid?
[(2R)-2-cyclohexyl-1-hydroxy-3,3-dimethylbutan-2-yl]carbamic acid has a molecular weight of 243.35 g/mol, XLogP of 2.61, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-cyclohexyl-1-hydroxy-3,3-dimethylbutan-2-yl]carbamic acid is sourced from PubChem (CID 67123382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).