(2R)-1-[[(2S)-oxolan-2-yl]methoxy]-3-[[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]propan-2-ol

C18H33NO3 — CID 100886577

IUPAC(2R)-1-[[(2S)-oxolan-2-yl]methoxy]-3-[[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]propan-2-ol
SMILESCC1(C)[C@H]2CC[C@@]1(C)[C@H](NC[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/t13-,14+,15-,16+,18-/m0/s1
InChIKeyQDJWMGKQXHYRSH-WXQHOCMDSA-N
MW311.47 g/mol
LogP2.35
Rot. Bonds7

About (2R)-1-[[(2S)-oxolan-2-yl]methoxy]-3-[[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]propan-2-ol

(2R)-1-[[(2S)-oxolan-2-yl]methoxy]-3-[[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]propan-2-ol (PubChem CID 100886577) has the molecular formula C18H33NO3 and a molecular weight of 311.47 g/mol. Its IUPAC name is (2R)-1-[[(2S)-oxolan-2-yl]methoxy]-3-[[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[[(2S)-oxolan-2-yl]methoxy]-3-[[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]propan-2-ol
PubChem CID100886577
Molecular FormulaC18H33NO3
Molecular Weight311.47 g/mol
Exact Mass311.25
IUPAC Name(2R)-1-[[(2S)-oxolan-2-yl]methoxy]-3-[[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]propan-2-ol
SMILESCC1(C)[C@H]2CC[C@@]1(C)[C@H](NC[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/t13-,14+,15-,16+,18-/m0/s1
InChIKeyQDJWMGKQXHYRSH-WXQHOCMDSA-N
XLogP2.35
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.47
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-1-[[(2S)-oxolan-2-yl]methoxy]-3-[[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]propan-2-ol with MolForge

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Launch Full Analysis

Related Compounds

[(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
1,7,7-trimethyl-N-(oxan-2-ylmethyl)bicyclo[2.2.1]heptan-2-amine
CID 60689061
1-(cycloheptylamino)-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 60634305
1-[(4-ethylcyclohexyl)amino]-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 60970222
1-(3-ethoxypropylamino)-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 60634131
3-[[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]amino]butan-1-ol
CID 83177777
1-(4,4-dimethylazepan-1-yl)-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 111462766
1-[(1-methylpyrrolidin-2-yl)methylamino]-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 106025608
2-[[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]amino]-N-methylpropanamide
CID 54950771
2-[[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]amino]-N,N-dimethylacetamide
CID 60901786
(2R)-1-[2-(2-hydroxyethoxy)ethylamino]-3-[[(2S)-oxolan-2-yl]methoxy]propan-2-ol
CID 94562031
ethyl 2-[[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]amino]acetate
CID 54937670

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[[(2S)-oxolan-2-yl]methoxy]-3-[[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]propan-2-ol?
The IUPAC name of (2R)-1-[[(2S)-oxolan-2-yl]methoxy]-3-[[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]propan-2-ol (CID 100886577) is (2R)-1-[[(2S)-oxolan-2-yl]methoxy]-3-[[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]propan-2-ol.
What is the SMILES notation for (2R)-1-[[(2S)-oxolan-2-yl]methoxy]-3-[[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]propan-2-ol?
The canonical SMILES for (2R)-1-[[(2S)-oxolan-2-yl]methoxy]-3-[[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]propan-2-ol is CC1(C)[C@H]2CC[C@@]1(C)[C@H](NC[C@@H](O)COC[C@@H]1CCCO1)C2.
What is the InChIKey of (2R)-1-[[(2S)-oxolan-2-yl]methoxy]-3-[[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]propan-2-ol?
The InChIKey is QDJWMGKQXHYRSH-WXQHOCMDSA-N. 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/t13-,14+,15-,16+,18-/m0/s1.
What are the key properties of (2R)-1-[[(2S)-oxolan-2-yl]methoxy]-3-[[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]propan-2-ol?
(2R)-1-[[(2S)-oxolan-2-yl]methoxy]-3-[[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]propan-2-ol has a molecular weight of 311.47 g/mol, XLogP of 2.35, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[[(2S)-oxolan-2-yl]methoxy]-3-[[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]propan-2-ol is sourced from PubChem (CID 100886577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).