(3S)-2-[(oxan-4-ylamino)methyl]oxane-3,4-diol

C11H21NO4 — CID 126606531

IUPAC(3S)-2-[(oxan-4-ylamino)methyl]oxane-3,4-diol
SMILESOC1CCOC(CNC2CCOCC2)[C@H]1O
InChIInChI=1S/C11H21NO4/c13-9-3-6-16-10(11(9)14)7-12-8-1-4-15-5-2-8/h8-14H,1-7H2/t9?,10?,11-/m0/s1
InChIKeyFTZHFWBTRABKPS-ILDUYXDCSA-N
MW231.29 g/mol
LogP-0.73
Rot. Bonds3

About (3S)-2-[(oxan-4-ylamino)methyl]oxane-3,4-diol

(3S)-2-[(oxan-4-ylamino)methyl]oxane-3,4-diol (PubChem CID 126606531) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is (3S)-2-[(oxan-4-ylamino)methyl]oxane-3,4-diol.

Molecular Properties

Compound Name(3S)-2-[(oxan-4-ylamino)methyl]oxane-3,4-diol
PubChem CID126606531
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Name(3S)-2-[(oxan-4-ylamino)methyl]oxane-3,4-diol
SMILESOC1CCOC(CNC2CCOCC2)[C@H]1O
InChIInChI=1S/C11H21NO4/c13-9-3-6-16-10(11(9)14)7-12-8-1-4-15-5-2-8/h8-14H,1-7H2/t9?,10?,11-/m0/s1
InChIKeyFTZHFWBTRABKPS-ILDUYXDCSA-N
XLogP-0.73
TPSA70.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 5-0.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S)-2-[(oxan-4-ylamino)methyl]oxane-3,4-diol?
The IUPAC name of (3S)-2-[(oxan-4-ylamino)methyl]oxane-3,4-diol (CID 126606531) is (3S)-2-[(oxan-4-ylamino)methyl]oxane-3,4-diol.
What is the SMILES notation for (3S)-2-[(oxan-4-ylamino)methyl]oxane-3,4-diol?
The canonical SMILES for (3S)-2-[(oxan-4-ylamino)methyl]oxane-3,4-diol is OC1CCOC(CNC2CCOCC2)[C@H]1O.
What is the InChIKey of (3S)-2-[(oxan-4-ylamino)methyl]oxane-3,4-diol?
The InChIKey is FTZHFWBTRABKPS-ILDUYXDCSA-N. The full InChI is InChI=1S/C11H21NO4/c13-9-3-6-16-10(11(9)14)7-12-8-1-4-15-5-2-8/h8-14H,1-7H2/t9?,10?,11-/m0/s1.
What are the key properties of (3S)-2-[(oxan-4-ylamino)methyl]oxane-3,4-diol?
(3S)-2-[(oxan-4-ylamino)methyl]oxane-3,4-diol has a molecular weight of 231.29 g/mol, XLogP of -0.73, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-2-[(oxan-4-ylamino)methyl]oxane-3,4-diol is sourced from PubChem (CID 126606531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).