2-ethyl-2-(methylamino)-5-(oxan-2-ylmethoxy)pentanoic acid

C14H27NO4 — CID 106806865

IUPAC2-ethyl-2-(methylamino)-5-(oxan-2-ylmethoxy)pentanoic acid
SMILESCCC(CCCOCC1CCCCO1)(NC)C(=O)O
InChIInChI=1S/C14H27NO4/c1-3-14(15-2,13(16)17)8-6-9-18-11-12-7-4-5-10-19-12/h12,15H,3-11H2,1-2H3,(H,16,17)
InChIKeyBMXUDIVEUAXBSQ-UHFFFAOYSA-N
MW273.37 g/mol
LogP1.81
Rot. Bonds9

About 2-ethyl-2-(methylamino)-5-(oxan-2-ylmethoxy)pentanoic acid

2-ethyl-2-(methylamino)-5-(oxan-2-ylmethoxy)pentanoic acid (PubChem CID 106806865) has the molecular formula C14H27NO4 and a molecular weight of 273.37 g/mol. Its IUPAC name is 2-ethyl-2-(methylamino)-5-(oxan-2-ylmethoxy)pentanoic acid.

Molecular Properties

Compound Name2-ethyl-2-(methylamino)-5-(oxan-2-ylmethoxy)pentanoic acid
PubChem CID106806865
Molecular FormulaC14H27NO4
Molecular Weight273.37 g/mol
Exact Mass273.19
IUPAC Name2-ethyl-2-(methylamino)-5-(oxan-2-ylmethoxy)pentanoic acid
SMILESCCC(CCCOCC1CCCCO1)(NC)C(=O)O
InChIInChI=1S/C14H27NO4/c1-3-14(15-2,13(16)17)8-6-9-18-11-12-7-4-5-10-19-12/h12,15H,3-11H2,1-2H3,(H,16,17)
InChIKeyBMXUDIVEUAXBSQ-UHFFFAOYSA-N
XLogP1.81
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.37
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethyl-5-(oxolan-2-ylmethoxy)pentanoic acid
CID 65259862
2-ethyl-2-(methylamino)-5-(oxan-4-yloxy)pentanoic acid
CID 106806746
2-ethyl-5-[3-(2-methoxyethoxy)propoxy]-2-(methylamino)pentanoic acid
CID 106807199
5-(cyclopentylmethoxy)-2-(cyclopropylamino)-2-ethylpentanoic acid
CID 106807115
2-[5-(oxepan-2-ylmethoxy)pentoxymethyl]oxepane
CID 58879072
2-ethyl-2-(methylamino)-5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pentanoic acid
CID 106807155
2-amino-2-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]butanamide
CID 79805275
3-(oxan-2-ylmethoxy)propan-1-ol
CID 63054995
6-(oxolan-2-ylmethoxy)hexan-3-one
CID 106801896
N-ethyl-5-(oxan-2-ylmethoxy)pentan-1-amine
CID 62446418
2-(methylamino)-4-(oxan-2-ylmethoxy)-2-phenylbutan-1-ol
CID 116695480
2-[[(2R)-oxan-2-yl]methoxy]ethanol
CID 91298433

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(methylamino)-5-(oxan-2-ylmethoxy)pentanoic acid?
The IUPAC name of 2-ethyl-2-(methylamino)-5-(oxan-2-ylmethoxy)pentanoic acid (CID 106806865) is 2-ethyl-2-(methylamino)-5-(oxan-2-ylmethoxy)pentanoic acid.
What is the SMILES notation for 2-ethyl-2-(methylamino)-5-(oxan-2-ylmethoxy)pentanoic acid?
The canonical SMILES for 2-ethyl-2-(methylamino)-5-(oxan-2-ylmethoxy)pentanoic acid is CCC(CCCOCC1CCCCO1)(NC)C(=O)O.
What is the InChIKey of 2-ethyl-2-(methylamino)-5-(oxan-2-ylmethoxy)pentanoic acid?
The InChIKey is BMXUDIVEUAXBSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO4/c1-3-14(15-2,13(16)17)8-6-9-18-11-12-7-4-5-10-19-12/h12,15H,3-11H2,1-2H3,(H,16,17).
What are the key properties of 2-ethyl-2-(methylamino)-5-(oxan-2-ylmethoxy)pentanoic acid?
2-ethyl-2-(methylamino)-5-(oxan-2-ylmethoxy)pentanoic acid has a molecular weight of 273.37 g/mol, XLogP of 1.81, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(methylamino)-5-(oxan-2-ylmethoxy)pentanoic acid is sourced from PubChem (CID 106806865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).