(1S)-2-amino-1-[(3R)-oxolan-3-yl]ethanol

C6H13NO2 — CID 93046962

IUPAC(1S)-2-amino-1-[(3R)-oxolan-3-yl]ethanol
SMILESNC[C@@H](O)[C@@H]1CCOC1
InChIInChI=1S/C6H13NO2/c7-3-6(8)5-1-2-9-4-5/h5-6,8H,1-4,7H2/t5-,6-/m1/s1
InChIKeyLVKRONDZCBNFLX-PHDIDXHHSA-N
MW131.17 g/mol
LogP-0.66
Rot. Bonds2

About (1S)-2-amino-1-[(3R)-oxolan-3-yl]ethanol

(1S)-2-amino-1-[(3R)-oxolan-3-yl]ethanol (PubChem CID 93046962) has the molecular formula C6H13NO2 and a molecular weight of 131.17 g/mol. Its IUPAC name is (1S)-2-amino-1-[(3R)-oxolan-3-yl]ethanol.

Molecular Properties

Compound Name(1S)-2-amino-1-[(3R)-oxolan-3-yl]ethanol
PubChem CID93046962
Molecular FormulaC6H13NO2
Molecular Weight131.17 g/mol
Exact Mass131.09
IUPAC Name(1S)-2-amino-1-[(3R)-oxolan-3-yl]ethanol
SMILESNC[C@@H](O)[C@@H]1CCOC1
InChIInChI=1S/C6H13NO2/c7-3-6(8)5-1-2-9-4-5/h5-6,8H,1-4,7H2/t5-,6-/m1/s1
InChIKeyLVKRONDZCBNFLX-PHDIDXHHSA-N
XLogP-0.66
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.17
LogP ≤ 5-0.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-2-bromo-1-[(3S)-oxolan-3-yl]ethanol
CID 124679633
1-(oxolan-3-yl)but-3-en-1-ol
CID 65329899
2-amino-1-cyclopropylethanol
CID 14852098
(1R)-2-amino-1-cyclopropylethanol
CID 51669576
2-(oxetan-3-yloxy)-1-(oxolan-3-yl)ethanol
CID 102607300
2-[methyl(propyl)amino]-1-(oxolan-3-yl)ethanol
CID 104752489
2-amino-1-(1,9-dioxaspiro[5.5]undecan-4-yl)ethanol
CID 79923333
1-(oxolan-3-yl)pent-4-en-1-ol
CID 65330730
3-amino-2-(oxolan-3-yl)propane-1-thiol
CID 117238038
(1S)-1-[(3R)-oxolan-3-yl]ethanol
CID 95763789
2-(cyclopentylmethoxy)-1-(oxolan-3-yl)ethanol
CID 104753738
2-[butyl(methyl)amino]-1-(oxolan-3-yl)ethanol
CID 104752432

Frequently Asked Questions

What is the IUPAC name of (1S)-2-amino-1-[(3R)-oxolan-3-yl]ethanol?
The IUPAC name of (1S)-2-amino-1-[(3R)-oxolan-3-yl]ethanol (CID 93046962) is (1S)-2-amino-1-[(3R)-oxolan-3-yl]ethanol.
What is the SMILES notation for (1S)-2-amino-1-[(3R)-oxolan-3-yl]ethanol?
The canonical SMILES for (1S)-2-amino-1-[(3R)-oxolan-3-yl]ethanol is NC[C@@H](O)[C@@H]1CCOC1.
What is the InChIKey of (1S)-2-amino-1-[(3R)-oxolan-3-yl]ethanol?
The InChIKey is LVKRONDZCBNFLX-PHDIDXHHSA-N. The full InChI is InChI=1S/C6H13NO2/c7-3-6(8)5-1-2-9-4-5/h5-6,8H,1-4,7H2/t5-,6-/m1/s1.
What are the key properties of (1S)-2-amino-1-[(3R)-oxolan-3-yl]ethanol?
(1S)-2-amino-1-[(3R)-oxolan-3-yl]ethanol has a molecular weight of 131.17 g/mol, XLogP of -0.66, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-amino-1-[(3R)-oxolan-3-yl]ethanol is sourced from PubChem (CID 93046962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).