2-[(2-ethyl-2-methyloxan-4-yl)amino]-2-methylpentanoic acid

C14H27NO3 — CID 65055879

IUPAC2-[(2-ethyl-2-methyloxan-4-yl)amino]-2-methylpentanoic acid
SMILESCCCC(C)(NC1CCOC(C)(CC)C1)C(=O)O
InChIInChI=1S/C14H27NO3/c1-5-8-14(4,12(16)17)15-11-7-9-18-13(3,6-2)10-11/h11,15H,5-10H2,1-4H3,(H,16,17)
InChIKeyMAXPMHPCCIQNFE-UHFFFAOYSA-N
MW257.37 g/mol
LogP2.57
Rot. Bonds6

About 2-[(2-ethyl-2-methyloxan-4-yl)amino]-2-methylpentanoic acid

2-[(2-ethyl-2-methyloxan-4-yl)amino]-2-methylpentanoic acid (PubChem CID 65055879) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is 2-[(2-ethyl-2-methyloxan-4-yl)amino]-2-methylpentanoic acid.

Molecular Properties

Compound Name2-[(2-ethyl-2-methyloxan-4-yl)amino]-2-methylpentanoic acid
PubChem CID65055879
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Name2-[(2-ethyl-2-methyloxan-4-yl)amino]-2-methylpentanoic acid
SMILESCCCC(C)(NC1CCOC(C)(CC)C1)C(=O)O
InChIInChI=1S/C14H27NO3/c1-5-8-14(4,12(16)17)15-11-7-9-18-13(3,6-2)10-11/h11,15H,5-10H2,1-4H3,(H,16,17)
InChIKeyMAXPMHPCCIQNFE-UHFFFAOYSA-N
XLogP2.57
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethyl-2-methyloxan-4-yl)amino]-2-methylpentanoic acid?
The IUPAC name of 2-[(2-ethyl-2-methyloxan-4-yl)amino]-2-methylpentanoic acid (CID 65055879) is 2-[(2-ethyl-2-methyloxan-4-yl)amino]-2-methylpentanoic acid.
What is the SMILES notation for 2-[(2-ethyl-2-methyloxan-4-yl)amino]-2-methylpentanoic acid?
The canonical SMILES for 2-[(2-ethyl-2-methyloxan-4-yl)amino]-2-methylpentanoic acid is CCCC(C)(NC1CCOC(C)(CC)C1)C(=O)O.
What is the InChIKey of 2-[(2-ethyl-2-methyloxan-4-yl)amino]-2-methylpentanoic acid?
The InChIKey is MAXPMHPCCIQNFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3/c1-5-8-14(4,12(16)17)15-11-7-9-18-13(3,6-2)10-11/h11,15H,5-10H2,1-4H3,(H,16,17).
What are the key properties of 2-[(2-ethyl-2-methyloxan-4-yl)amino]-2-methylpentanoic acid?
2-[(2-ethyl-2-methyloxan-4-yl)amino]-2-methylpentanoic acid has a molecular weight of 257.37 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethyl-2-methyloxan-4-yl)amino]-2-methylpentanoic acid is sourced from PubChem (CID 65055879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).