2-[(2-ethoxy-2-oxoethyl)amino]-2-methylbutanoic acid

C9H17NO4 — CID 114987835

IUPAC2-[(2-ethoxy-2-oxoethyl)amino]-2-methylbutanoic acid
SMILESCCOC(=O)CNC(C)(CC)C(=O)O
InChIInChI=1S/C9H17NO4/c1-4-9(3,8(12)13)10-6-7(11)14-5-2/h10H,4-6H2,1-3H3,(H,12,13)
InChIKeyXDRFTRBSWYBTSX-UHFFFAOYSA-N
MW203.24 g/mol
LogP0.39
Rot. Bonds6

About 2-[(2-ethoxy-2-oxoethyl)amino]-2-methylbutanoic acid

2-[(2-ethoxy-2-oxoethyl)amino]-2-methylbutanoic acid (PubChem CID 114987835) has the molecular formula C9H17NO4 and a molecular weight of 203.24 g/mol. Its IUPAC name is 2-[(2-ethoxy-2-oxoethyl)amino]-2-methylbutanoic acid.

Molecular Properties

Compound Name2-[(2-ethoxy-2-oxoethyl)amino]-2-methylbutanoic acid
PubChem CID114987835
Molecular FormulaC9H17NO4
Molecular Weight203.24 g/mol
Exact Mass203.12
IUPAC Name2-[(2-ethoxy-2-oxoethyl)amino]-2-methylbutanoic acid
SMILESCCOC(=O)CNC(C)(CC)C(=O)O
InChIInChI=1S/C9H17NO4/c1-4-9(3,8(12)13)10-6-7(11)14-5-2/h10H,4-6H2,1-3H3,(H,12,13)
InChIKeyXDRFTRBSWYBTSX-UHFFFAOYSA-N
XLogP0.39
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethoxy-2-oxoethyl)amino]-2-methylbutanoic acid?
The IUPAC name of 2-[(2-ethoxy-2-oxoethyl)amino]-2-methylbutanoic acid (CID 114987835) is 2-[(2-ethoxy-2-oxoethyl)amino]-2-methylbutanoic acid.
What is the SMILES notation for 2-[(2-ethoxy-2-oxoethyl)amino]-2-methylbutanoic acid?
The canonical SMILES for 2-[(2-ethoxy-2-oxoethyl)amino]-2-methylbutanoic acid is CCOC(=O)CNC(C)(CC)C(=O)O.
What is the InChIKey of 2-[(2-ethoxy-2-oxoethyl)amino]-2-methylbutanoic acid?
The InChIKey is XDRFTRBSWYBTSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO4/c1-4-9(3,8(12)13)10-6-7(11)14-5-2/h10H,4-6H2,1-3H3,(H,12,13).
What are the key properties of 2-[(2-ethoxy-2-oxoethyl)amino]-2-methylbutanoic acid?
2-[(2-ethoxy-2-oxoethyl)amino]-2-methylbutanoic acid has a molecular weight of 203.24 g/mol, XLogP of 0.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethoxy-2-oxoethyl)amino]-2-methylbutanoic acid is sourced from PubChem (CID 114987835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).