4-[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]-methylamino]butanoic acid

C12H25NO5 — CID 106991392

IUPAC4-[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]-methylamino]butanoic acid
SMILESCOCC(C)OCC(O)CN(C)CCCC(=O)O
InChIInChI=1S/C12H25NO5/c1-10(8-17-3)18-9-11(14)7-13(2)6-4-5-12(15)16/h10-11,14H,4-9H2,1-3H3,(H,15,16)
InChIKeyMJJWIPROQUIXDV-UHFFFAOYSA-N
MW263.33 g/mol
LogP0.20
Rot. Bonds11

About 4-[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]-methylamino]butanoic acid

4-[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]-methylamino]butanoic acid (PubChem CID 106991392) has the molecular formula C12H25NO5 and a molecular weight of 263.33 g/mol. Its IUPAC name is 4-[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]-methylamino]butanoic acid.

Molecular Properties

Compound Name4-[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]-methylamino]butanoic acid
PubChem CID106991392
Molecular FormulaC12H25NO5
Molecular Weight263.33 g/mol
Exact Mass263.17
IUPAC Name4-[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]-methylamino]butanoic acid
SMILESCOCC(C)OCC(O)CN(C)CCCC(=O)O
InChIInChI=1S/C12H25NO5/c1-10(8-17-3)18-9-11(14)7-13(2)6-4-5-12(15)16/h10-11,14H,4-9H2,1-3H3,(H,15,16)
InChIKeyMJJWIPROQUIXDV-UHFFFAOYSA-N
XLogP0.20
TPSA79.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.33
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]-methylamino]butanoic acid with MolForge

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Related Compounds

1-[2-methoxyethyl(methyl)amino]-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106991846
1-[ethyl(methyl)amino]-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106991712
1-[2,2-difluoroethyl(methyl)amino]-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106992238
1-[2-[2-[2-hydroxy-3-[[2-hydroxy-3-[2-[2-[2-hydroxy-3-[3-methoxypropyl(methyl)amino]propoxy]propoxy]propoxy]propyl]-(3-methoxypropyl)amino]propoxy]propoxy]propoxy]-3-[3-methoxypropyl(methyl)amino]propan-2-ol
CID 58399699
1-(1-methoxypropan-2-yloxy)-3-[methyl(2,2,2-trifluoroethyl)amino]propan-2-ol
CID 106991777
1-[bis(2-methoxyethyl)amino]-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106991830
1-[3-(dimethylamino)propyl-methylamino]-3-methoxypropan-2-ol
CID 63928362
12-[2-hydroxypropyl(methyl)amino]dodecanoic acid
CID 88635021
methyl 3-[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]-(2-methoxyethyl)amino]propanoate
CID 106992885
1-methoxy-3-[3-(2-methoxyethoxy)propyl-methylamino]propan-2-ol
CID 103412009
1-(1-methoxypropan-2-yloxy)-3-[methyl(3-methylbutan-2-yl)amino]propan-2-ol
CID 106991752
1-[3-fluoropropyl(methyl)amino]-3-methoxypropan-2-ol
CID 81113554

Frequently Asked Questions

What is the IUPAC name of 4-[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]-methylamino]butanoic acid?
The IUPAC name of 4-[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]-methylamino]butanoic acid (CID 106991392) is 4-[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]-methylamino]butanoic acid.
What is the SMILES notation for 4-[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]-methylamino]butanoic acid?
The canonical SMILES for 4-[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]-methylamino]butanoic acid is COCC(C)OCC(O)CN(C)CCCC(=O)O.
What is the InChIKey of 4-[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]-methylamino]butanoic acid?
The InChIKey is MJJWIPROQUIXDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO5/c1-10(8-17-3)18-9-11(14)7-13(2)6-4-5-12(15)16/h10-11,14H,4-9H2,1-3H3,(H,15,16).
What are the key properties of 4-[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]-methylamino]butanoic acid?
4-[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]-methylamino]butanoic acid has a molecular weight of 263.33 g/mol, XLogP of 0.20, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]-methylamino]butanoic acid is sourced from PubChem (CID 106991392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).