(1S,2R)-1,2-bis(2,2-dimethyl-1,3-dioxolan-4-yl)-2-pyrrolidin-1-ylethanol

C16H29NO5 — CID 101046844

IUPAC(1S,2R)-1,2-bis(2,2-dimethyl-1,3-dioxolan-4-yl)-2-pyrrolidin-1-ylethanol
SMILESCC1(C)OCC([C@@H](O)[C@H](C2COC(C)(C)O2)N2CCCC2)O1
InChIInChI=1S/C16H29NO5/c1-15(2)19-9-11(21-15)13(17-7-5-6-8-17)14(18)12-10-20-16(3,4)22-12/h11-14,18H,5-10H2,1-4H3/t11?,12?,13-,14+/m0/s1
InChIKeyDRDCXWWDBQQJLS-CLRIEMFWSA-N
MW315.41 g/mol
LogP1.11
Rot. Bonds4

About (1S,2R)-1,2-bis(2,2-dimethyl-1,3-dioxolan-4-yl)-2-pyrrolidin-1-ylethanol

(1S,2R)-1,2-bis(2,2-dimethyl-1,3-dioxolan-4-yl)-2-pyrrolidin-1-ylethanol (PubChem CID 101046844) has the molecular formula C16H29NO5 and a molecular weight of 315.41 g/mol. Its IUPAC name is (1S,2R)-1,2-bis(2,2-dimethyl-1,3-dioxolan-4-yl)-2-pyrrolidin-1-ylethanol.

Molecular Properties

Compound Name(1S,2R)-1,2-bis(2,2-dimethyl-1,3-dioxolan-4-yl)-2-pyrrolidin-1-ylethanol
PubChem CID101046844
Molecular FormulaC16H29NO5
Molecular Weight315.41 g/mol
Exact Mass315.20
IUPAC Name(1S,2R)-1,2-bis(2,2-dimethyl-1,3-dioxolan-4-yl)-2-pyrrolidin-1-ylethanol
SMILESCC1(C)OCC([C@@H](O)[C@H](C2COC(C)(C)O2)N2CCCC2)O1
InChIInChI=1S/C16H29NO5/c1-15(2)19-9-11(21-15)13(17-7-5-6-8-17)14(18)12-10-20-16(3,4)22-12/h11-14,18H,5-10H2,1-4H3/t11?,12?,13-,14+/m0/s1
InChIKeyDRDCXWWDBQQJLS-CLRIEMFWSA-N
XLogP1.11
TPSA60.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (1S,2R)-1,2-bis(2,2-dimethyl-1,3-dioxolan-4-yl)-2-pyrrolidin-1-ylethanol with MolForge

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Related Compounds

(1S)-1-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol
CID 122451653
bis(2,2-dimethyl-1,3-dioxolan-4-yl)methanol
CID 4047032
(1S,2S)-1,2-bis[(4R)-2-(deuteriomethyl)-2-methyl-1,3-dioxolan-4-yl]ethane-1,2-diol
CID 57154703
1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol
CID 68974036
(1S,2R,3S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]butane-1,2,3,4-tetrol
CID 123134144
(1R,2S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylbut-3-en-1-ol
CID 13428079
3-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-hydroxy-2-methylpropanal
CID 12641543
(2R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxyacetaldehyde
CID 129075073
(1R)-2,2,2-trichloro-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol
CID 59052003
1,3-bis(2,2-dimethyl-1,3-dioxolan-4-yl)propane-1,2-diol
CID 20700280
4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1,3,4-trihydroxybutan-2-one
CID 101217854
(1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylbuta-2,3-dien-1-ol
CID 11672787

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-1,2-bis(2,2-dimethyl-1,3-dioxolan-4-yl)-2-pyrrolidin-1-ylethanol?
The IUPAC name of (1S,2R)-1,2-bis(2,2-dimethyl-1,3-dioxolan-4-yl)-2-pyrrolidin-1-ylethanol (CID 101046844) is (1S,2R)-1,2-bis(2,2-dimethyl-1,3-dioxolan-4-yl)-2-pyrrolidin-1-ylethanol.
What is the SMILES notation for (1S,2R)-1,2-bis(2,2-dimethyl-1,3-dioxolan-4-yl)-2-pyrrolidin-1-ylethanol?
The canonical SMILES for (1S,2R)-1,2-bis(2,2-dimethyl-1,3-dioxolan-4-yl)-2-pyrrolidin-1-ylethanol is CC1(C)OCC([C@@H](O)[C@H](C2COC(C)(C)O2)N2CCCC2)O1.
What is the InChIKey of (1S,2R)-1,2-bis(2,2-dimethyl-1,3-dioxolan-4-yl)-2-pyrrolidin-1-ylethanol?
The InChIKey is DRDCXWWDBQQJLS-CLRIEMFWSA-N. The full InChI is InChI=1S/C16H29NO5/c1-15(2)19-9-11(21-15)13(17-7-5-6-8-17)14(18)12-10-20-16(3,4)22-12/h11-14,18H,5-10H2,1-4H3/t11?,12?,13-,14+/m0/s1.
What are the key properties of (1S,2R)-1,2-bis(2,2-dimethyl-1,3-dioxolan-4-yl)-2-pyrrolidin-1-ylethanol?
(1S,2R)-1,2-bis(2,2-dimethyl-1,3-dioxolan-4-yl)-2-pyrrolidin-1-ylethanol has a molecular weight of 315.41 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-1,2-bis(2,2-dimethyl-1,3-dioxolan-4-yl)-2-pyrrolidin-1-ylethanol is sourced from PubChem (CID 101046844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).