4-(1-hydroxybutan-2-ylamino)oxolan-3-ol

C8H17NO3 — CID 60910255

IUPAC4-(1-hydroxybutan-2-ylamino)oxolan-3-ol
SMILESCCC(CO)NC1COCC1O
InChIInChI=1S/C8H17NO3/c1-2-6(3-10)9-7-4-12-5-8(7)11/h6-11H,2-5H2,1H3
InChIKeyICYJPVXQGIKTSP-UHFFFAOYSA-N
MW175.23 g/mol
LogP-0.89
Rot. Bonds4

About 4-(1-hydroxybutan-2-ylamino)oxolan-3-ol

4-(1-hydroxybutan-2-ylamino)oxolan-3-ol (PubChem CID 60910255) has the molecular formula C8H17NO3 and a molecular weight of 175.23 g/mol. Its IUPAC name is 4-(1-hydroxybutan-2-ylamino)oxolan-3-ol.

Molecular Properties

Compound Name4-(1-hydroxybutan-2-ylamino)oxolan-3-ol
PubChem CID60910255
Molecular FormulaC8H17NO3
Molecular Weight175.23 g/mol
Exact Mass175.12
IUPAC Name4-(1-hydroxybutan-2-ylamino)oxolan-3-ol
SMILESCCC(CO)NC1COCC1O
InChIInChI=1S/C8H17NO3/c1-2-6(3-10)9-7-4-12-5-8(7)11/h6-11H,2-5H2,1H3
InChIKeyICYJPVXQGIKTSP-UHFFFAOYSA-N
XLogP-0.89
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 5-0.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1-hydroxybutan-2-ylamino)oxolan-3-ol?
The IUPAC name of 4-(1-hydroxybutan-2-ylamino)oxolan-3-ol (CID 60910255) is 4-(1-hydroxybutan-2-ylamino)oxolan-3-ol.
What is the SMILES notation for 4-(1-hydroxybutan-2-ylamino)oxolan-3-ol?
The canonical SMILES for 4-(1-hydroxybutan-2-ylamino)oxolan-3-ol is CCC(CO)NC1COCC1O.
What is the InChIKey of 4-(1-hydroxybutan-2-ylamino)oxolan-3-ol?
The InChIKey is ICYJPVXQGIKTSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3/c1-2-6(3-10)9-7-4-12-5-8(7)11/h6-11H,2-5H2,1H3.
What are the key properties of 4-(1-hydroxybutan-2-ylamino)oxolan-3-ol?
4-(1-hydroxybutan-2-ylamino)oxolan-3-ol has a molecular weight of 175.23 g/mol, XLogP of -0.89, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-hydroxybutan-2-ylamino)oxolan-3-ol is sourced from PubChem (CID 60910255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).