[(2R,3R,4R,5S)-3,4,5-trihydroxyoxolan-2-yl]methyl 4-(dimethylamino)butanoate

C11H21NO6 — CID 175101897

IUPAC[(2R,3R,4R,5S)-3,4,5-trihydroxyoxolan-2-yl]methyl 4-(dimethylamino)butanoate
SMILESCN(C)CCCC(=O)OC[C@H]1O[C@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C11H21NO6/c1-12(2)5-3-4-8(13)17-6-7-9(14)10(15)11(16)18-7/h7,9-11,14-16H,3-6H2,1-2H3/t7-,9+,10-,11+/m1/s1
InChIKeyCNHXGRQDHNSMBA-DQDDRIPDSA-N
MW263.29 g/mol
LogP-1.69
Rot. Bonds6

About [(2R,3R,4R,5S)-3,4,5-trihydroxyoxolan-2-yl]methyl 4-(dimethylamino)butanoate

[(2R,3R,4R,5S)-3,4,5-trihydroxyoxolan-2-yl]methyl 4-(dimethylamino)butanoate (PubChem CID 175101897) has the molecular formula C11H21NO6 and a molecular weight of 263.29 g/mol. Its IUPAC name is [(2R,3R,4R,5S)-3,4,5-trihydroxyoxolan-2-yl]methyl 4-(dimethylamino)butanoate.

Molecular Properties

Compound Name[(2R,3R,4R,5S)-3,4,5-trihydroxyoxolan-2-yl]methyl 4-(dimethylamino)butanoate
PubChem CID175101897
Molecular FormulaC11H21NO6
Molecular Weight263.29 g/mol
Exact Mass263.14
IUPAC Name[(2R,3R,4R,5S)-3,4,5-trihydroxyoxolan-2-yl]methyl 4-(dimethylamino)butanoate
SMILESCN(C)CCCC(=O)OC[C@H]1O[C@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C11H21NO6/c1-12(2)5-3-4-8(13)17-6-7-9(14)10(15)11(16)18-7/h7,9-11,14-16H,3-6H2,1-2H3/t7-,9+,10-,11+/m1/s1
InChIKeyCNHXGRQDHNSMBA-DQDDRIPDSA-N
XLogP-1.69
TPSA99.46 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 5-1.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze [(2R,3R,4R,5S)-3,4,5-trihydroxyoxolan-2-yl]methyl 4-(dimethylamino)butanoate with MolForge

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Related Compounds

[(2R,3S,4S,5R,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl hexanoate
CID 102094451
[(2R,3S,4R)-3,4,5-trihydroxyoxolan-2-yl]methyl tetradecanoate
CID 118561897
[(2R,3S,4R,5R,6R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl octanoate
CID 101360009
[(2R,3S,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl dodecanoate
CID 10193765
[(2R,3S,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl octadec-9-enoate
CID 67314196
[(2R,3R,4R,5S)-3,4,5-trihydroxyoxolan-2-yl]methyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate
CID 102065058
[(2R,3S,5R)-2-[4-(dimethylamino)butanoyloxymethyl]-5-hydroxy-4-[(Z)-octadec-9-enoyl]oxyoxolan-3-yl] (Z)-octadec-9-enoate
CID 165379660
[(2R,3S,4S,5R,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl octadeca-9,12-dienoate
CID 67315235
[(2R,3S,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl (9E,12E)-octadeca-9,12-dienoate
CID 10049011
4-O-ethenyl 1-O-[[(2R,3R,4S,5R,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl] butanedioate
CID 101332396
4-O-ethenyl 1-O-[[(2R,3R,4S,5R,6R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl] butanedioate
CID 102410329
[(2R,3S,4S,5R)-3,4,6-trihydroxy-5-methoxyoxan-2-yl]methyl decanoate
CID 67843310

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4R,5S)-3,4,5-trihydroxyoxolan-2-yl]methyl 4-(dimethylamino)butanoate?
The IUPAC name of [(2R,3R,4R,5S)-3,4,5-trihydroxyoxolan-2-yl]methyl 4-(dimethylamino)butanoate (CID 175101897) is [(2R,3R,4R,5S)-3,4,5-trihydroxyoxolan-2-yl]methyl 4-(dimethylamino)butanoate.
What is the SMILES notation for [(2R,3R,4R,5S)-3,4,5-trihydroxyoxolan-2-yl]methyl 4-(dimethylamino)butanoate?
The canonical SMILES for [(2R,3R,4R,5S)-3,4,5-trihydroxyoxolan-2-yl]methyl 4-(dimethylamino)butanoate is CN(C)CCCC(=O)OC[C@H]1O[C@H](O)[C@H](O)[C@H]1O.
What is the InChIKey of [(2R,3R,4R,5S)-3,4,5-trihydroxyoxolan-2-yl]methyl 4-(dimethylamino)butanoate?
The InChIKey is CNHXGRQDHNSMBA-DQDDRIPDSA-N. The full InChI is InChI=1S/C11H21NO6/c1-12(2)5-3-4-8(13)17-6-7-9(14)10(15)11(16)18-7/h7,9-11,14-16H,3-6H2,1-2H3/t7-,9+,10-,11+/m1/s1.
What are the key properties of [(2R,3R,4R,5S)-3,4,5-trihydroxyoxolan-2-yl]methyl 4-(dimethylamino)butanoate?
[(2R,3R,4R,5S)-3,4,5-trihydroxyoxolan-2-yl]methyl 4-(dimethylamino)butanoate has a molecular weight of 263.29 g/mol, XLogP of -1.69, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4R,5S)-3,4,5-trihydroxyoxolan-2-yl]methyl 4-(dimethylamino)butanoate is sourced from PubChem (CID 175101897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).