(2S)-2-hydroxy-3-methyl-N-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]butanamide

C15H27NO2 — CID 72947063

IUPAC(2S)-2-hydroxy-3-methyl-N-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]butanamide
SMILESCC(C)[C@H](O)C(=O)N[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C
InChIInChI=1S/C15H27NO2/c1-9(2)12(17)13(18)16-11-8-10-6-7-15(11,5)14(10,3)4/h9-12,17H,6-8H2,1-5H3,(H,16,18)/t10-,11-,12+,15+/m1/s1
InChIKeyDFIKAMRAAUTECL-FJJYHAOUSA-N
MW253.39 g/mol
LogP2.33
Rot. Bonds3

About (2S)-2-hydroxy-3-methyl-N-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]butanamide

(2S)-2-hydroxy-3-methyl-N-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]butanamide (PubChem CID 72947063) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is (2S)-2-hydroxy-3-methyl-N-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]butanamide.

Molecular Properties

Compound Name(2S)-2-hydroxy-3-methyl-N-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]butanamide
PubChem CID72947063
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name(2S)-2-hydroxy-3-methyl-N-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]butanamide
SMILESCC(C)[C@H](O)C(=O)N[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C
InChIInChI=1S/C15H27NO2/c1-9(2)12(17)13(18)16-11-8-10-6-7-15(11,5)14(10,3)4/h9-12,17H,6-8H2,1-5H3,(H,16,18)/t10-,11-,12+,15+/m1/s1
InChIKeyDFIKAMRAAUTECL-FJJYHAOUSA-N
XLogP2.33
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-3-methyl-N-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]butanamide?
The IUPAC name of (2S)-2-hydroxy-3-methyl-N-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]butanamide (CID 72947063) is (2S)-2-hydroxy-3-methyl-N-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]butanamide.
What is the SMILES notation for (2S)-2-hydroxy-3-methyl-N-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]butanamide?
The canonical SMILES for (2S)-2-hydroxy-3-methyl-N-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]butanamide is CC(C)[C@H](O)C(=O)N[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C.
What is the InChIKey of (2S)-2-hydroxy-3-methyl-N-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]butanamide?
The InChIKey is DFIKAMRAAUTECL-FJJYHAOUSA-N. The full InChI is InChI=1S/C15H27NO2/c1-9(2)12(17)13(18)16-11-8-10-6-7-15(11,5)14(10,3)4/h9-12,17H,6-8H2,1-5H3,(H,16,18)/t10-,11-,12+,15+/m1/s1.
What are the key properties of (2S)-2-hydroxy-3-methyl-N-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]butanamide?
(2S)-2-hydroxy-3-methyl-N-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]butanamide has a molecular weight of 253.39 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-3-methyl-N-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]butanamide is sourced from PubChem (CID 72947063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).