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

C14H27NO3 — CID 65061714

IUPAC2-[ethyl-(2-ethyl-2-methyloxan-4-yl)amino]-2-methylpropanoic acid
SMILESCCN(C1CCOC(C)(CC)C1)C(C)(C)C(=O)O
InChIInChI=1S/C14H27NO3/c1-6-14(5)10-11(8-9-18-14)15(7-2)13(3,4)12(16)17/h11H,6-10H2,1-5H3,(H,16,17)
InChIKeyKYYWSJCXRUWXOP-UHFFFAOYSA-N
MW257.37 g/mol
LogP2.52
Rot. Bonds5

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

2-[ethyl-(2-ethyl-2-methyloxan-4-yl)amino]-2-methylpropanoic acid (PubChem CID 65061714) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is 2-[ethyl-(2-ethyl-2-methyloxan-4-yl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[ethyl-(2-ethyl-2-methyloxan-4-yl)amino]-2-methylpropanoic acid
PubChem CID65061714
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Name2-[ethyl-(2-ethyl-2-methyloxan-4-yl)amino]-2-methylpropanoic acid
SMILESCCN(C1CCOC(C)(CC)C1)C(C)(C)C(=O)O
InChIInChI=1S/C14H27NO3/c1-6-14(5)10-11(8-9-18-14)15(7-2)13(3,4)12(16)17/h11H,6-10H2,1-5H3,(H,16,17)
InChIKeyKYYWSJCXRUWXOP-UHFFFAOYSA-N
XLogP2.52
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-(2-ethyl-2-methyloxan-4-yl)amino]-2-methylpropanoic acid?
The IUPAC name of 2-[ethyl-(2-ethyl-2-methyloxan-4-yl)amino]-2-methylpropanoic acid (CID 65061714) is 2-[ethyl-(2-ethyl-2-methyloxan-4-yl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[ethyl-(2-ethyl-2-methyloxan-4-yl)amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[ethyl-(2-ethyl-2-methyloxan-4-yl)amino]-2-methylpropanoic acid is CCN(C1CCOC(C)(CC)C1)C(C)(C)C(=O)O.
What is the InChIKey of 2-[ethyl-(2-ethyl-2-methyloxan-4-yl)amino]-2-methylpropanoic acid?
The InChIKey is KYYWSJCXRUWXOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3/c1-6-14(5)10-11(8-9-18-14)15(7-2)13(3,4)12(16)17/h11H,6-10H2,1-5H3,(H,16,17).
What are the key properties of 2-[ethyl-(2-ethyl-2-methyloxan-4-yl)amino]-2-methylpropanoic acid?
2-[ethyl-(2-ethyl-2-methyloxan-4-yl)amino]-2-methylpropanoic acid has a molecular weight of 257.37 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-(2-ethyl-2-methyloxan-4-yl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 65061714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).