4-(2-amino-2-methylpropoxy)oxolan-3-ol

C8H17NO3 — CID 130502861

IUPAC4-(2-amino-2-methylpropoxy)oxolan-3-ol
SMILESCC(C)(N)COC1COCC1O
InChIInChI=1S/C8H17NO3/c1-8(2,9)5-12-7-4-11-3-6(7)10/h6-7,10H,3-5,9H2,1-2H3
InChIKeyRTCHNBYVFXOKBT-UHFFFAOYSA-N
MW175.23 g/mol
LogP-0.50
Rot. Bonds3

About 4-(2-amino-2-methylpropoxy)oxolan-3-ol

4-(2-amino-2-methylpropoxy)oxolan-3-ol (PubChem CID 130502861) has the molecular formula C8H17NO3 and a molecular weight of 175.23 g/mol. Its IUPAC name is 4-(2-amino-2-methylpropoxy)oxolan-3-ol.

Molecular Properties

Compound Name4-(2-amino-2-methylpropoxy)oxolan-3-ol
PubChem CID130502861
Molecular FormulaC8H17NO3
Molecular Weight175.23 g/mol
Exact Mass175.12
IUPAC Name4-(2-amino-2-methylpropoxy)oxolan-3-ol
SMILESCC(C)(N)COC1COCC1O
InChIInChI=1S/C8H17NO3/c1-8(2,9)5-12-7-4-11-3-6(7)10/h6-7,10H,3-5,9H2,1-2H3
InChIKeyRTCHNBYVFXOKBT-UHFFFAOYSA-N
XLogP-0.50
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R,4R)-4-[(3S,4S)-4-hydroxyoxolan-3-yl]oxyoxolan-3-ol
CID 101047051
(3S)-4-ethyloxolan-3-ol
CID 147211957
(4-hydroxyoxolan-3-yl) hypoiodite
CID 134388200
(3R,4R)-4-methylsulfanyloxyoxolan-3-ol
CID 167184845
3,4-diethoxyoxolane
CID 14307969
(4-hydroxyoxolan-3-yl) 2-aminoacetate
CID 131172210
[(3R,4S)-4-hydroxyoxolan-3-yl] 2-methylpropanoate
CID 11137612
(4-hydroxyoxolan-3-yl) acetate
CID 14785283
3-iodo-4-(2-methoxy-2-methylbutoxy)oxolane
CID 165493547
4-[1-(aminomethyl)-4,4-dimethylcyclohexyl]oxyoxolan-3-ol
CID 114266661
1-(3,7-dioxa-9-azabicyclo[3.3.1]nonan-9-yl)-2-methylpropan-2-amine
CID 130941505
4-(1-aminopropyl)oxolan-3-ol
CID 55288646

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-2-methylpropoxy)oxolan-3-ol?
The IUPAC name of 4-(2-amino-2-methylpropoxy)oxolan-3-ol (CID 130502861) is 4-(2-amino-2-methylpropoxy)oxolan-3-ol.
What is the SMILES notation for 4-(2-amino-2-methylpropoxy)oxolan-3-ol?
The canonical SMILES for 4-(2-amino-2-methylpropoxy)oxolan-3-ol is CC(C)(N)COC1COCC1O.
What is the InChIKey of 4-(2-amino-2-methylpropoxy)oxolan-3-ol?
The InChIKey is RTCHNBYVFXOKBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3/c1-8(2,9)5-12-7-4-11-3-6(7)10/h6-7,10H,3-5,9H2,1-2H3.
What are the key properties of 4-(2-amino-2-methylpropoxy)oxolan-3-ol?
4-(2-amino-2-methylpropoxy)oxolan-3-ol has a molecular weight of 175.23 g/mol, XLogP of -0.50, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-2-methylpropoxy)oxolan-3-ol is sourced from PubChem (CID 130502861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).