2-methyl-5-[(2,2,6,6-tetramethylmorpholine-4-carbonyl)amino]pentanoic acid

C15H28N2O4 — CID 102744984

IUPAC2-methyl-5-[(2,2,6,6-tetramethylmorpholine-4-carbonyl)amino]pentanoic acid
SMILESCC(CCCNC(=O)N1CC(C)(C)OC(C)(C)C1)C(=O)O
InChIInChI=1S/C15H28N2O4/c1-11(12(18)19)7-6-8-16-13(20)17-9-14(2,3)21-15(4,5)10-17/h11H,6-10H2,1-5H3,(H,16,20)(H,18,19)
InChIKeyKADBEVUSLGELHV-UHFFFAOYSA-N
MW300.40 g/mol
LogP2.09
Rot. Bonds5

About 2-methyl-5-[(2,2,6,6-tetramethylmorpholine-4-carbonyl)amino]pentanoic acid

2-methyl-5-[(2,2,6,6-tetramethylmorpholine-4-carbonyl)amino]pentanoic acid (PubChem CID 102744984) has the molecular formula C15H28N2O4 and a molecular weight of 300.40 g/mol. Its IUPAC name is 2-methyl-5-[(2,2,6,6-tetramethylmorpholine-4-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name2-methyl-5-[(2,2,6,6-tetramethylmorpholine-4-carbonyl)amino]pentanoic acid
PubChem CID102744984
Molecular FormulaC15H28N2O4
Molecular Weight300.40 g/mol
Exact Mass300.20
IUPAC Name2-methyl-5-[(2,2,6,6-tetramethylmorpholine-4-carbonyl)amino]pentanoic acid
SMILESCC(CCCNC(=O)N1CC(C)(C)OC(C)(C)C1)C(=O)O
InChIInChI=1S/C15H28N2O4/c1-11(12(18)19)7-6-8-16-13(20)17-9-14(2,3)21-15(4,5)10-17/h11H,6-10H2,1-5H3,(H,16,20)(H,18,19)
InChIKeyKADBEVUSLGELHV-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-(2,2,2-Trifluoroethoxy)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 63834067
2-[1-[2-(2,2,2-Trifluoroethoxy)ethylcarbamoyl]piperidin-4-yl]acetic acid
CID 79609435
(3R)-1-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 81120149
(3S)-1-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 81125966
1-[2-(2,2-Difluoroethoxy)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 105919064
(3S)-1-[2-(2,2-difluoroethoxy)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 105919203
2-[1-[2-(2,2-Difluoroethoxy)ethylcarbamoyl]piperidin-4-yl]acetic acid
CID 105919212
(3R)-1-[2-(2,2-difluoroethoxy)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 114128630
1-[1-(2,2,2-Trifluoroethoxy)propan-2-ylcarbamoyl]piperidine-3-carboxylic acid
CID 121998760
1-[2-(2,2,3,3-Tetrafluoropropoxy)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 122011928
1-[1-(2,2,2-Trifluoroethoxy)butan-2-ylcarbamoyl]piperidine-3-carboxylic acid
CID 122015964
5-Methyl-1-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 122122081

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(2,2,6,6-tetramethylmorpholine-4-carbonyl)amino]pentanoic acid?
The IUPAC name of 2-methyl-5-[(2,2,6,6-tetramethylmorpholine-4-carbonyl)amino]pentanoic acid (CID 102744984) is 2-methyl-5-[(2,2,6,6-tetramethylmorpholine-4-carbonyl)amino]pentanoic acid.
What is the SMILES notation for 2-methyl-5-[(2,2,6,6-tetramethylmorpholine-4-carbonyl)amino]pentanoic acid?
The canonical SMILES for 2-methyl-5-[(2,2,6,6-tetramethylmorpholine-4-carbonyl)amino]pentanoic acid is CC(CCCNC(=O)N1CC(C)(C)OC(C)(C)C1)C(=O)O.
What is the InChIKey of 2-methyl-5-[(2,2,6,6-tetramethylmorpholine-4-carbonyl)amino]pentanoic acid?
The InChIKey is KADBEVUSLGELHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O4/c1-11(12(18)19)7-6-8-16-13(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 2-methyl-5-[(2,2,6,6-tetramethylmorpholine-4-carbonyl)amino]pentanoic acid?
2-methyl-5-[(2,2,6,6-tetramethylmorpholine-4-carbonyl)amino]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 2-methyl-5-[(2,2,6,6-tetramethylmorpholine-4-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 102744984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).