3-[[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]amino]butan-1-ol

C12H25NO4 — CID 83177777

IUPAC3-[[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]amino]butan-1-ol
SMILESCC(CCO)NCC(O)COCC1CCCO1
InChIInChI=1S/C12H25NO4/c1-10(4-5-14)13-7-11(15)8-16-9-12-3-2-6-17-12/h10-15H,2-9H2,1H3
InChIKeyYPFXODCKGSALOM-UHFFFAOYSA-N
MW247.33 g/mol
LogP-0.10
Rot. Bonds9

About 3-[[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]amino]butan-1-ol

3-[[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]amino]butan-1-ol (PubChem CID 83177777) has the molecular formula C12H25NO4 and a molecular weight of 247.33 g/mol. Its IUPAC name is 3-[[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]amino]butan-1-ol.

Molecular Properties

Compound Name3-[[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]amino]butan-1-ol
PubChem CID83177777
Molecular FormulaC12H25NO4
Molecular Weight247.33 g/mol
Exact Mass247.18
IUPAC Name3-[[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]amino]butan-1-ol
SMILESCC(CCO)NCC(O)COCC1CCCO1
InChIInChI=1S/C12H25NO4/c1-10(4-5-14)13-7-11(15)8-16-9-12-3-2-6-17-12/h10-15H,2-9H2,1H3
InChIKeyYPFXODCKGSALOM-UHFFFAOYSA-N
XLogP-0.10
TPSA70.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.33
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(oxolan-2-ylmethoxy)-3-(1-piperidin-1-ylpropan-2-ylamino)propan-2-ol
CID 61499940
3-[[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]amino]-2-methylsulfanylbutan-1-ol
CID 106160886
2-[[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]amino]-N-methylpropanamide
CID 54950771
1-[[(1R)-1-(2-methylphenyl)ethyl]amino]-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 81364457
3-(oxolan-2-ylmethylamino)butan-1-ol
CID 83177846
(2R)-1-[2-(2-hydroxyethoxy)ethylamino]-3-[[(2S)-oxolan-2-yl]methoxy]propan-2-ol
CID 94562031
1-[1-(furan-2-yl)ethylamino]-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 54938663
1-[1-(5-methylfuran-2-yl)ethylamino]-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 61040225
1-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 81355892
1-(cycloheptylamino)-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 60634305
1-[1-(5-methylthiophen-2-yl)ethylamino]-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 61473596
1-[(4-ethylcyclohexyl)amino]-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 60970222

Frequently Asked Questions

What is the IUPAC name of 3-[[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]amino]butan-1-ol?
The IUPAC name of 3-[[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]amino]butan-1-ol (CID 83177777) is 3-[[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]amino]butan-1-ol.
What is the SMILES notation for 3-[[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]amino]butan-1-ol?
The canonical SMILES for 3-[[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]amino]butan-1-ol is CC(CCO)NCC(O)COCC1CCCO1.
What is the InChIKey of 3-[[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]amino]butan-1-ol?
The InChIKey is YPFXODCKGSALOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO4/c1-10(4-5-14)13-7-11(15)8-16-9-12-3-2-6-17-12/h10-15H,2-9H2,1H3.
What are the key properties of 3-[[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]amino]butan-1-ol?
3-[[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]amino]butan-1-ol has a molecular weight of 247.33 g/mol, XLogP of -0.10, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]amino]butan-1-ol is sourced from PubChem (CID 83177777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).