4-(methylamino)-5-(oxolan-2-yloxy)pentane-2,3-diol

C10H21NO4 — CID 153374045

IUPAC4-(methylamino)-5-(oxolan-2-yloxy)pentane-2,3-diol
SMILESCNC(COC1CCCO1)C(O)C(C)O
InChIInChI=1S/C10H21NO4/c1-7(12)10(13)8(11-2)6-15-9-4-3-5-14-9/h7-13H,3-6H2,1-2H3
InChIKeyKHEAJZJXKNPAPA-UHFFFAOYSA-N
MW219.28 g/mol
LogP-0.53
Rot. Bonds6

About 4-(methylamino)-5-(oxolan-2-yloxy)pentane-2,3-diol

4-(methylamino)-5-(oxolan-2-yloxy)pentane-2,3-diol (PubChem CID 153374045) has the molecular formula C10H21NO4 and a molecular weight of 219.28 g/mol. Its IUPAC name is 4-(methylamino)-5-(oxolan-2-yloxy)pentane-2,3-diol.

Molecular Properties

Compound Name4-(methylamino)-5-(oxolan-2-yloxy)pentane-2,3-diol
PubChem CID153374045
Molecular FormulaC10H21NO4
Molecular Weight219.28 g/mol
Exact Mass219.15
IUPAC Name4-(methylamino)-5-(oxolan-2-yloxy)pentane-2,3-diol
SMILESCNC(COC1CCCO1)C(O)C(C)O
InChIInChI=1S/C10H21NO4/c1-7(12)10(13)8(11-2)6-15-9-4-3-5-14-9/h7-13H,3-6H2,1-2H3
InChIKeyKHEAJZJXKNPAPA-UHFFFAOYSA-N
XLogP-0.53
TPSA70.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 5-0.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(oxolan-2-yloxy)propan-2-ol
CID 172822303
methyl (2R)-2-methyl-3-[(2R)-oxan-2-yl]oxypropanoate
CID 92975409
methyl (2S)-2-methyl-3-(oxan-2-yloxy)propanoate
CID 11195022
2-amino-1-(oxolan-2-yloxy)pentan-3-ol
CID 153374047
2-[(2R)-4-iodo-2-methylbutoxy]oxane
CID 11779415
2-[1,3,4-tris(oxolan-2-yloxy)butan-2-yloxy]oxolane
CID 169311786
2-(2,3,3-trimethylbutoxy)oxane
CID 145356481
2-[(E,2R)-4-iodo-2-methylpent-3-enoxy]oxane
CID 10870601
2,6-dimethyl-7-(oxan-2-yloxy)heptan-1-ol
CID 85158047
2-[(2R)-2-methylpentoxy]oxane
CID 57327472
2-(4-bromo-2,3-dimethylbutoxy)oxane
CID 14731941
methyl (2S)-2-amino-3-(oxan-2-yloxy)propanoate;hydrochloride
CID 91978788

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-5-(oxolan-2-yloxy)pentane-2,3-diol?
The IUPAC name of 4-(methylamino)-5-(oxolan-2-yloxy)pentane-2,3-diol (CID 153374045) is 4-(methylamino)-5-(oxolan-2-yloxy)pentane-2,3-diol.
What is the SMILES notation for 4-(methylamino)-5-(oxolan-2-yloxy)pentane-2,3-diol?
The canonical SMILES for 4-(methylamino)-5-(oxolan-2-yloxy)pentane-2,3-diol is CNC(COC1CCCO1)C(O)C(C)O.
What is the InChIKey of 4-(methylamino)-5-(oxolan-2-yloxy)pentane-2,3-diol?
The InChIKey is KHEAJZJXKNPAPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO4/c1-7(12)10(13)8(11-2)6-15-9-4-3-5-14-9/h7-13H,3-6H2,1-2H3.
What are the key properties of 4-(methylamino)-5-(oxolan-2-yloxy)pentane-2,3-diol?
4-(methylamino)-5-(oxolan-2-yloxy)pentane-2,3-diol has a molecular weight of 219.28 g/mol, XLogP of -0.53, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-5-(oxolan-2-yloxy)pentane-2,3-diol is sourced from PubChem (CID 153374045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).