3-[[(2,2,6,6-tetramethylmorpholine-4-carbonyl)amino]methyl]pentanoic acid

C15H28N2O4 — CID 102744912

IUPAC3-[[(2,2,6,6-tetramethylmorpholine-4-carbonyl)amino]methyl]pentanoic acid
SMILESCCC(CNC(=O)N1CC(C)(C)OC(C)(C)C1)CC(=O)O
InChIInChI=1S/C15H28N2O4/c1-6-11(7-12(18)19)8-16-13(20)17-9-14(2,3)21-15(4,5)10-17/h11H,6-10H2,1-5H3,(H,16,20)(H,18,19)
InChIKeyQYGPZLQFRDNEET-UHFFFAOYSA-N
MW300.40 g/mol
LogP2.09
Rot. Bonds5

About 3-[[(2,2,6,6-tetramethylmorpholine-4-carbonyl)amino]methyl]pentanoic acid

3-[[(2,2,6,6-tetramethylmorpholine-4-carbonyl)amino]methyl]pentanoic acid (PubChem CID 102744912) has the molecular formula C15H28N2O4 and a molecular weight of 300.40 g/mol. Its IUPAC name is 3-[[(2,2,6,6-tetramethylmorpholine-4-carbonyl)amino]methyl]pentanoic acid.

Molecular Properties

Compound Name3-[[(2,2,6,6-tetramethylmorpholine-4-carbonyl)amino]methyl]pentanoic acid
PubChem CID102744912
Molecular FormulaC15H28N2O4
Molecular Weight300.40 g/mol
Exact Mass300.20
IUPAC Name3-[[(2,2,6,6-tetramethylmorpholine-4-carbonyl)amino]methyl]pentanoic acid
SMILESCCC(CNC(=O)N1CC(C)(C)OC(C)(C)C1)CC(=O)O
InChIInChI=1S/C15H28N2O4/c1-6-11(7-12(18)19)8-16-13(20)17-9-14(2,3)21-15(4,5)10-17/h11H,6-10H2,1-5H3,(H,16,20)(H,18,19)
InChIKeyQYGPZLQFRDNEET-UHFFFAOYSA-N
XLogP2.09
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(4,4-dimethylpiperidine-1-carbonyl)amino]methyl]pentanoic acid
CID 81069891
3-[(piperazine-1-carbonylamino)methyl]pentanoic acid
CID 81069478
3-[[(4,4-diethylpiperidine-1-carbonyl)amino]methyl]pentanoic acid
CID 81068168
3-[[(4-propylpiperazine-1-carbonyl)amino]methyl]pentanoic acid
CID 81073349
3-[[(2-methyl-1,4-oxazepane-4-carbonyl)amino]methyl]pentanoic acid
CID 81070041
3-[[(2-cyanomorpholine-4-carbonyl)amino]methyl]pentanoic acid
CID 81070191
2-hydroxy-2-methyl-3-[(2,2,6,6-tetramethylmorpholine-4-carbonyl)amino]propanoic acid
CID 102744953
3-[[(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)amino]methyl]pentanoic acid
CID 81067589
2-methyl-5-[(2,2,6,6-tetramethylmorpholine-4-carbonyl)amino]pentanoic acid
CID 102744984
(3S)-3-[[(3-hydroxy-3-methylpyrrolidine-1-carbonyl)amino]methyl]-5-methylhexanoic acid
CID 103357069
2-[(2,2,6,6-tetramethylmorpholine-4-carbonyl)amino]oxyacetic acid
CID 102744885
2,2,6,6-tetramethyl-N-[(2S)-3-methyl-2-(2-methylpyrazol-3-yl)butyl]morpholine-4-carboxamide
CID 124855766

Frequently Asked Questions

What is the IUPAC name of 3-[[(2,2,6,6-tetramethylmorpholine-4-carbonyl)amino]methyl]pentanoic acid?
The IUPAC name of 3-[[(2,2,6,6-tetramethylmorpholine-4-carbonyl)amino]methyl]pentanoic acid (CID 102744912) is 3-[[(2,2,6,6-tetramethylmorpholine-4-carbonyl)amino]methyl]pentanoic acid.
What is the SMILES notation for 3-[[(2,2,6,6-tetramethylmorpholine-4-carbonyl)amino]methyl]pentanoic acid?
The canonical SMILES for 3-[[(2,2,6,6-tetramethylmorpholine-4-carbonyl)amino]methyl]pentanoic acid is CCC(CNC(=O)N1CC(C)(C)OC(C)(C)C1)CC(=O)O.
What is the InChIKey of 3-[[(2,2,6,6-tetramethylmorpholine-4-carbonyl)amino]methyl]pentanoic acid?
The InChIKey is QYGPZLQFRDNEET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O4/c1-6-11(7-12(18)19)8-16-13(20)17-9-14(2,3)21-15(4,5)10-17/h11H,6-10H2,1-5H3,(H,16,20)(H,18,19).
What are the key properties of 3-[[(2,2,6,6-tetramethylmorpholine-4-carbonyl)amino]methyl]pentanoic acid?
3-[[(2,2,6,6-tetramethylmorpholine-4-carbonyl)amino]methyl]pentanoic acid has a molecular weight of 300.40 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2,2,6,6-tetramethylmorpholine-4-carbonyl)amino]methyl]pentanoic acid is sourced from PubChem (CID 102744912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).