3-(cyclopropylamino)-3-[(6R)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]propan-1-ol

C14H25NO5 — CID 5275348

IUPAC3-(cyclopropylamino)-3-[(6R)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]propan-1-ol
SMILESCO[C@@H]1C(C(CCO)NC2CC2)OC2OC(C)(C)OC21
InChIInChI=1S/C14H25NO5/c1-14(2)19-12-11(17-3)10(18-13(12)20-14)9(6-7-16)15-8-4-5-8/h8-13,15-16H,4-7H2,1-3H3/t9?,10?,11-,12?,13?/m1/s1
InChIKeyOWWBOTDJCISYRS-ZLXUSHJUSA-N
MW287.36 g/mol
LogP0.38
Rot. Bonds6

About 3-(cyclopropylamino)-3-[(6R)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]propan-1-ol

3-(cyclopropylamino)-3-[(6R)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]propan-1-ol (PubChem CID 5275348) has the molecular formula C14H25NO5 and a molecular weight of 287.36 g/mol. Its IUPAC name is 3-(cyclopropylamino)-3-[(6R)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]propan-1-ol.

Molecular Properties

Compound Name3-(cyclopropylamino)-3-[(6R)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]propan-1-ol
PubChem CID5275348
Molecular FormulaC14H25NO5
Molecular Weight287.36 g/mol
Exact Mass287.17
IUPAC Name3-(cyclopropylamino)-3-[(6R)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]propan-1-ol
SMILESCO[C@@H]1C(C(CCO)NC2CC2)OC2OC(C)(C)OC21
InChIInChI=1S/C14H25NO5/c1-14(2)19-12-11(17-3)10(18-13(12)20-14)9(6-7-16)15-8-4-5-8/h8-13,15-16H,4-7H2,1-3H3/t9?,10?,11-,12?,13?/m1/s1
InChIKeyOWWBOTDJCISYRS-ZLXUSHJUSA-N
XLogP0.38
TPSA69.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-(cyclopropylamino)-3-[(6R)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]propan-1-ol with MolForge

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Related Compounds

(1R,2R,3R,6S,7S,8S)-3-(hydroxymethyl)-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,4,5,6,7,8-octahydropyrrolizin-4-ium-1,2,7-triol
CID 72199333
3-(heptylamino)-3-[(6R)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]propan-1-ol
CID 5275349
3-(dodecylamino)-3-[(6R)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]propan-1-ol
CID 5275350
3-(dodecylamino)-3-[(6S)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]propan-1-ol
CID 5275351
3-(hexadecylamino)-3-[(6R)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]propan-1-ol
CID 5275352
3-(hexadecylamino)-3-[(6S)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]propan-1-ol
CID 5275353
3-Cyclopropylamino-3-(2,2,7,7-tetramethyl-tetrahydro-bis[1,3]dioxolo[4,5-b
CID 5275361
3-Cyclohexylamino-3-(2,2,7,7-tetramethyl-tetrahydro-bis[1,3]dioxolo[4,5-b
CID 5275362
3-Heptylamino-3-(2,2,7,7-tetramethyl-tetrahydro-bis[1,3]dioxolo[4,5-b
CID 5275363
4',5'-d]Pyran-5-yl)-3-tridecylamino-propan-1-ol
CID 5275364
3-Hexadecylamino-3-(2,2,7,7-tetramethyl-tetrahydro-bis[1,3]dioxolo[4,5-b
CID 5275365
3-(hexadecylamino)-3-[(8S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]propan-1-ol
CID 5275366

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylamino)-3-[(6R)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]propan-1-ol?
The IUPAC name of 3-(cyclopropylamino)-3-[(6R)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]propan-1-ol (CID 5275348) is 3-(cyclopropylamino)-3-[(6R)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]propan-1-ol.
What is the SMILES notation for 3-(cyclopropylamino)-3-[(6R)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]propan-1-ol?
The canonical SMILES for 3-(cyclopropylamino)-3-[(6R)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]propan-1-ol is CO[C@@H]1C(C(CCO)NC2CC2)OC2OC(C)(C)OC21.
What is the InChIKey of 3-(cyclopropylamino)-3-[(6R)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]propan-1-ol?
The InChIKey is OWWBOTDJCISYRS-ZLXUSHJUSA-N. The full InChI is InChI=1S/C14H25NO5/c1-14(2)19-12-11(17-3)10(18-13(12)20-14)9(6-7-16)15-8-4-5-8/h8-13,15-16H,4-7H2,1-3H3/t9?,10?,11-,12?,13?/m1/s1.
What are the key properties of 3-(cyclopropylamino)-3-[(6R)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]propan-1-ol?
3-(cyclopropylamino)-3-[(6R)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]propan-1-ol has a molecular weight of 287.36 g/mol, XLogP of 0.38, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylamino)-3-[(6R)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]propan-1-ol is sourced from PubChem (CID 5275348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).