3-methyl-3-morpholin-4-ylpentanoic acid

C10H19NO3 — CID 64527149

IUPAC3-methyl-3-morpholin-4-ylpentanoic acid
SMILESCCC(C)(CC(=O)O)N1CCOCC1
InChIInChI=1S/C10H19NO3/c1-3-10(2,8-9(12)13)11-4-6-14-7-5-11/h3-8H2,1-2H3,(H,12,13)
InChIKeyLSTRCLHFLUMRRR-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.96
Rot. Bonds4

About 3-methyl-3-morpholin-4-ylpentanoic acid

3-methyl-3-morpholin-4-ylpentanoic acid (PubChem CID 64527149) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 3-methyl-3-morpholin-4-ylpentanoic acid.

Molecular Properties

Compound Name3-methyl-3-morpholin-4-ylpentanoic acid
PubChem CID64527149
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name3-methyl-3-morpholin-4-ylpentanoic acid
SMILESCCC(C)(CC(=O)O)N1CCOCC1
InChIInChI=1S/C10H19NO3/c1-3-10(2,8-9(12)13)11-4-6-14-7-5-11/h3-8H2,1-2H3,(H,12,13)
InChIKeyLSTRCLHFLUMRRR-UHFFFAOYSA-N
XLogP0.96
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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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Related Compounds

ethyl 3-methyl-3-morpholin-4-ylpentanoate
CID 64528777
2-methyl-2-morpholin-4-ylbutanoic acid
CID 43803225
4-(3,5,5-trimethylhexan-3-yl)morpholine
CID 123863287
3-methyl-3-pyrrolidin-1-ylhexanoic acid
CID 64528524
ethyl 2-methyl-2-morpholin-4-ylpropanoate
CID 13022015
3-(azepan-1-yl)-3-methylhexanoic acid
CID 64527906
3-(4-chlorophenyl)-3-morpholin-4-ylbutanoic acid
CID 64528314
3-morpholin-4-yl-3-phenylhexanoic acid
CID 64528715
3-(2-methylphenyl)-3-morpholin-4-ylbutanoic acid
CID 64527538
ethyl 5-methoxy-3,5-dimethyl-3-morpholin-4-ylhexanoate
CID 64528974
N,2-dimethyl-2-morpholin-4-ylpropanamide
CID 59526666
N-hydroxy-2-methyl-2-morpholin-4-ylpropanamide
CID 127000284

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-morpholin-4-ylpentanoic acid?
The IUPAC name of 3-methyl-3-morpholin-4-ylpentanoic acid (CID 64527149) is 3-methyl-3-morpholin-4-ylpentanoic acid.
What is the SMILES notation for 3-methyl-3-morpholin-4-ylpentanoic acid?
The canonical SMILES for 3-methyl-3-morpholin-4-ylpentanoic acid is CCC(C)(CC(=O)O)N1CCOCC1.
What is the InChIKey of 3-methyl-3-morpholin-4-ylpentanoic acid?
The InChIKey is LSTRCLHFLUMRRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-3-10(2,8-9(12)13)11-4-6-14-7-5-11/h3-8H2,1-2H3,(H,12,13).
What are the key properties of 3-methyl-3-morpholin-4-ylpentanoic acid?
3-methyl-3-morpholin-4-ylpentanoic acid has a molecular weight of 201.27 g/mol, XLogP of 0.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-morpholin-4-ylpentanoic acid is sourced from PubChem (CID 64527149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).