[(2S)-2-hydroxy-3-[[(2R)-oxolan-2-yl]methoxy]propyl]-[(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]azanium

C18H34NO3+ — CID 50938409

IUPAC[(2S)-2-hydroxy-3-[[(2R)-oxolan-2-yl]methoxy]propyl]-[(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]azanium
SMILESCC1(C)[C@H]2CC[C@]1(C)[C@@H]([NH2+]C[C@H](O)COC[C@H]1CCCO1)C2
InChIInChI=1S/C18H33NO3/c1-17(2)13-6-7-18(17,3)16(9-13)19-10-14(20)11-21-12-15-5-4-8-22-15/h13-16,19-20H,4-12H2,1-3H3/p+1/t13-,14-,15+,16-,18+/m0/s1
InChIKeyQDJWMGKQXHYRSH-RNGZQALNSA-O
MW312.47 g/mol
LogP1.32
Rot. Bonds7

About [(2S)-2-hydroxy-3-[[(2R)-oxolan-2-yl]methoxy]propyl]-[(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]azanium

[(2S)-2-hydroxy-3-[[(2R)-oxolan-2-yl]methoxy]propyl]-[(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]azanium (PubChem CID 50938409) has the molecular formula C18H34NO3+ and a molecular weight of 312.47 g/mol. Its IUPAC name is [(2S)-2-hydroxy-3-[[(2R)-oxolan-2-yl]methoxy]propyl]-[(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]azanium.

Molecular Properties

Compound Name[(2S)-2-hydroxy-3-[[(2R)-oxolan-2-yl]methoxy]propyl]-[(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]azanium
PubChem CID50938409
Molecular FormulaC18H34NO3+
Molecular Weight312.47 g/mol
Exact Mass312.25
IUPAC Name[(2S)-2-hydroxy-3-[[(2R)-oxolan-2-yl]methoxy]propyl]-[(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]azanium
SMILESCC1(C)[C@H]2CC[C@]1(C)[C@@H]([NH2+]C[C@H](O)COC[C@H]1CCCO1)C2
InChIInChI=1S/C18H33NO3/c1-17(2)13-6-7-18(17,3)16(9-13)19-10-14(20)11-21-12-15-5-4-8-22-15/h13-16,19-20H,4-12H2,1-3H3/p+1/t13-,14-,15+,16-,18+/m0/s1
InChIKeyQDJWMGKQXHYRSH-RNGZQALNSA-O
XLogP1.32
TPSA55.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.47
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [(2S)-2-hydroxy-3-[[(2R)-oxolan-2-yl]methoxy]propyl]-[(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]azanium with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(2S)-2-hydroxy-3-[[(2R)-oxolan-2-yl]methoxy]propyl]-[(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]azanium?
The IUPAC name of [(2S)-2-hydroxy-3-[[(2R)-oxolan-2-yl]methoxy]propyl]-[(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]azanium (CID 50938409) is [(2S)-2-hydroxy-3-[[(2R)-oxolan-2-yl]methoxy]propyl]-[(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]azanium.
What is the SMILES notation for [(2S)-2-hydroxy-3-[[(2R)-oxolan-2-yl]methoxy]propyl]-[(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]azanium?
The canonical SMILES for [(2S)-2-hydroxy-3-[[(2R)-oxolan-2-yl]methoxy]propyl]-[(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]azanium is CC1(C)[C@H]2CC[C@]1(C)[C@@H]([NH2+]C[C@H](O)COC[C@H]1CCCO1)C2.
What is the InChIKey of [(2S)-2-hydroxy-3-[[(2R)-oxolan-2-yl]methoxy]propyl]-[(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]azanium?
The InChIKey is QDJWMGKQXHYRSH-RNGZQALNSA-O. The full InChI is InChI=1S/C18H33NO3/c1-17(2)13-6-7-18(17,3)16(9-13)19-10-14(20)11-21-12-15-5-4-8-22-15/h13-16,19-20H,4-12H2,1-3H3/p+1/t13-,14-,15+,16-,18+/m0/s1.
What are the key properties of [(2S)-2-hydroxy-3-[[(2R)-oxolan-2-yl]methoxy]propyl]-[(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]azanium?
[(2S)-2-hydroxy-3-[[(2R)-oxolan-2-yl]methoxy]propyl]-[(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]azanium has a molecular weight of 312.47 g/mol, XLogP of 1.32, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-hydroxy-3-[[(2R)-oxolan-2-yl]methoxy]propyl]-[(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]azanium is sourced from PubChem (CID 50938409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).