2-(5-methyl-4-propan-2-ylmorpholin-2-yl)acetic acid

C10H19NO3 — CID 58507876

IUPAC2-(5-methyl-4-propan-2-ylmorpholin-2-yl)acetic acid
SMILESCC(C)N1CC(CC(=O)O)OCC1C
InChIInChI=1S/C10H19NO3/c1-7(2)11-5-9(4-10(12)13)14-6-8(11)3/h7-9H,4-6H2,1-3H3,(H,12,13)
InChIKeyLBBMDHSSCXNUIP-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.96
Rot. Bonds3

About 2-(5-methyl-4-propan-2-ylmorpholin-2-yl)acetic acid

2-(5-methyl-4-propan-2-ylmorpholin-2-yl)acetic acid (PubChem CID 58507876) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-(5-methyl-4-propan-2-ylmorpholin-2-yl)acetic acid.

Molecular Properties

Compound Name2-(5-methyl-4-propan-2-ylmorpholin-2-yl)acetic acid
PubChem CID58507876
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name2-(5-methyl-4-propan-2-ylmorpholin-2-yl)acetic acid
SMILESCC(C)N1CC(CC(=O)O)OCC1C
InChIInChI=1S/C10H19NO3/c1-7(2)11-5-9(4-10(12)13)14-6-8(11)3/h7-9H,4-6H2,1-3H3,(H,12,13)
InChIKeyLBBMDHSSCXNUIP-UHFFFAOYSA-N
XLogP0.96
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-4-propan-2-ylmorpholin-2-yl)acetic acid?
The IUPAC name of 2-(5-methyl-4-propan-2-ylmorpholin-2-yl)acetic acid (CID 58507876) is 2-(5-methyl-4-propan-2-ylmorpholin-2-yl)acetic acid.
What is the SMILES notation for 2-(5-methyl-4-propan-2-ylmorpholin-2-yl)acetic acid?
The canonical SMILES for 2-(5-methyl-4-propan-2-ylmorpholin-2-yl)acetic acid is CC(C)N1CC(CC(=O)O)OCC1C.
What is the InChIKey of 2-(5-methyl-4-propan-2-ylmorpholin-2-yl)acetic acid?
The InChIKey is LBBMDHSSCXNUIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-7(2)11-5-9(4-10(12)13)14-6-8(11)3/h7-9H,4-6H2,1-3H3,(H,12,13).
What are the key properties of 2-(5-methyl-4-propan-2-ylmorpholin-2-yl)acetic acid?
2-(5-methyl-4-propan-2-ylmorpholin-2-yl)acetic acid has a molecular weight of 201.27 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-4-propan-2-ylmorpholin-2-yl)acetic acid is sourced from PubChem (CID 58507876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).