6-[[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]amino]-4-methylhexanoic acid

C14H26N2O5 — CID 81196870

IUPAC6-[[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]amino]-4-methylhexanoic acid
SMILESCC(CCNC(=O)N1CC(CO)OCC1C)CCC(=O)O
InChIInChI=1S/C14H26N2O5/c1-10(3-4-13(18)19)5-6-15-14(20)16-7-12(8-17)21-9-11(16)2/h10-12,17H,3-9H2,1-2H3,(H,15,20)(H,18,19)
InChIKeyYOOCOMWIPSYDEP-UHFFFAOYSA-N
MW302.37 g/mol
LogP0.67
Rot. Bonds7

About 6-[[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]amino]-4-methylhexanoic acid

6-[[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]amino]-4-methylhexanoic acid (PubChem CID 81196870) has the molecular formula C14H26N2O5 and a molecular weight of 302.37 g/mol. Its IUPAC name is 6-[[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]amino]-4-methylhexanoic acid.

Molecular Properties

Compound Name6-[[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]amino]-4-methylhexanoic acid
PubChem CID81196870
Molecular FormulaC14H26N2O5
Molecular Weight302.37 g/mol
Exact Mass302.18
IUPAC Name6-[[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]amino]-4-methylhexanoic acid
SMILESCC(CCNC(=O)N1CC(CO)OCC1C)CCC(=O)O
InChIInChI=1S/C14H26N2O5/c1-10(3-4-13(18)19)5-6-15-14(20)16-7-12(8-17)21-9-11(16)2/h10-12,17H,3-9H2,1-2H3,(H,15,20)(H,18,19)
InChIKeyYOOCOMWIPSYDEP-UHFFFAOYSA-N
XLogP0.67
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]amino]-4-methylhexanoic acid?
The IUPAC name of 6-[[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]amino]-4-methylhexanoic acid (CID 81196870) is 6-[[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]amino]-4-methylhexanoic acid.
What is the SMILES notation for 6-[[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]amino]-4-methylhexanoic acid?
The canonical SMILES for 6-[[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]amino]-4-methylhexanoic acid is CC(CCNC(=O)N1CC(CO)OCC1C)CCC(=O)O.
What is the InChIKey of 6-[[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]amino]-4-methylhexanoic acid?
The InChIKey is YOOCOMWIPSYDEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O5/c1-10(3-4-13(18)19)5-6-15-14(20)16-7-12(8-17)21-9-11(16)2/h10-12,17H,3-9H2,1-2H3,(H,15,20)(H,18,19).
What are the key properties of 6-[[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]amino]-4-methylhexanoic acid?
6-[[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]amino]-4-methylhexanoic acid has a molecular weight of 302.37 g/mol, XLogP of 0.67, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]amino]-4-methylhexanoic acid is sourced from PubChem (CID 81196870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).