(2S)-1-(oxolan-3-ylamino)butan-2-ol

C8H17NO2 — CID 130571979

IUPAC(2S)-1-(oxolan-3-ylamino)butan-2-ol
SMILESCC[C@H](O)CNC1CCOC1
InChIInChI=1S/C8H17NO2/c1-2-8(10)5-9-7-3-4-11-6-7/h7-10H,2-6H2,1H3/t7?,8-/m0/s1
InChIKeyNCBOZMCDHZPDMS-MQWKRIRWSA-N
MW159.23 g/mol
LogP0.14
Rot. Bonds4

About (2S)-1-(oxolan-3-ylamino)butan-2-ol

(2S)-1-(oxolan-3-ylamino)butan-2-ol (PubChem CID 130571979) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is (2S)-1-(oxolan-3-ylamino)butan-2-ol.

Molecular Properties

Compound Name(2S)-1-(oxolan-3-ylamino)butan-2-ol
PubChem CID130571979
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name(2S)-1-(oxolan-3-ylamino)butan-2-ol
SMILESCC[C@H](O)CNC1CCOC1
InChIInChI=1S/C8H17NO2/c1-2-8(10)5-9-7-3-4-11-6-7/h7-10H,2-6H2,1H3/t7?,8-/m0/s1
InChIKeyNCBOZMCDHZPDMS-MQWKRIRWSA-N
XLogP0.14
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(oxan-3-ylamino)pentan-2-ol
CID 115719380
2-N,2-N-dimethyl-1-N-(oxolan-3-yl)butane-1,2-diamine
CID 115688949
1-(cyclobutylamino)butan-2-ol
CID 62416322
1-(2-ethylcyclohexyl)oxy-3-(oxolan-3-ylamino)propan-2-ol
CID 80714151
1-(4-methylpentan-2-yloxy)-3-(oxolan-3-ylamino)propan-2-ol
CID 80714149
4,4-dimethyl-1-(oxan-3-ylamino)pentan-2-ol
CID 115721192
2-N-cyclopropyl-2-N-methyl-1-N-(oxolan-3-yl)propane-1,2-diamine
CID 115689098
1-(5-methylfuran-2-yl)-2-(oxolan-3-ylamino)ethanol
CID 115689533
N-(2-methylnonyl)oxolan-3-amine
CID 115688902
4-methyl-1-(oxolan-3-ylamino)pentan-3-ol
CID 115689581
N-(2-methylbutyl)oxan-4-amine
CID 43609665
(2R)-2-(oxolan-3-ylamino)butan-1-ol
CID 103922432

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(oxolan-3-ylamino)butan-2-ol?
The IUPAC name of (2S)-1-(oxolan-3-ylamino)butan-2-ol (CID 130571979) is (2S)-1-(oxolan-3-ylamino)butan-2-ol.
What is the SMILES notation for (2S)-1-(oxolan-3-ylamino)butan-2-ol?
The canonical SMILES for (2S)-1-(oxolan-3-ylamino)butan-2-ol is CC[C@H](O)CNC1CCOC1.
What is the InChIKey of (2S)-1-(oxolan-3-ylamino)butan-2-ol?
The InChIKey is NCBOZMCDHZPDMS-MQWKRIRWSA-N. The full InChI is InChI=1S/C8H17NO2/c1-2-8(10)5-9-7-3-4-11-6-7/h7-10H,2-6H2,1H3/t7?,8-/m0/s1.
What are the key properties of (2S)-1-(oxolan-3-ylamino)butan-2-ol?
(2S)-1-(oxolan-3-ylamino)butan-2-ol has a molecular weight of 159.23 g/mol, XLogP of 0.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(oxolan-3-ylamino)butan-2-ol is sourced from PubChem (CID 130571979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).