2-ethyl-2-[[(2-propan-2-yloxyacetyl)amino]methyl]butanoic acid

C12H23NO4 — CID 112555185

IUPAC2-ethyl-2-[[(2-propan-2-yloxyacetyl)amino]methyl]butanoic acid
SMILESCCC(CC)(CNC(=O)COC(C)C)C(=O)O
InChIInChI=1S/C12H23NO4/c1-5-12(6-2,11(15)16)8-13-10(14)7-17-9(3)4/h9H,5-8H2,1-4H3,(H,13,14)(H,15,16)
InChIKeyNUKFVYJTRSYKDW-UHFFFAOYSA-N
MW245.32 g/mol
LogP1.42
Rot. Bonds8

About 2-ethyl-2-[[(2-propan-2-yloxyacetyl)amino]methyl]butanoic acid

2-ethyl-2-[[(2-propan-2-yloxyacetyl)amino]methyl]butanoic acid (PubChem CID 112555185) has the molecular formula C12H23NO4 and a molecular weight of 245.32 g/mol. Its IUPAC name is 2-ethyl-2-[[(2-propan-2-yloxyacetyl)amino]methyl]butanoic acid.

Molecular Properties

Compound Name2-ethyl-2-[[(2-propan-2-yloxyacetyl)amino]methyl]butanoic acid
PubChem CID112555185
Molecular FormulaC12H23NO4
Molecular Weight245.32 g/mol
Exact Mass245.16
IUPAC Name2-ethyl-2-[[(2-propan-2-yloxyacetyl)amino]methyl]butanoic acid
SMILESCCC(CC)(CNC(=O)COC(C)C)C(=O)O
InChIInChI=1S/C12H23NO4/c1-5-12(6-2,11(15)16)8-13-10(14)7-17-9(3)4/h9H,5-8H2,1-4H3,(H,13,14)(H,15,16)
InChIKeyNUKFVYJTRSYKDW-UHFFFAOYSA-N
XLogP1.42
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[[(2-propan-2-yloxyacetyl)amino]methyl]butanoic acid?
The IUPAC name of 2-ethyl-2-[[(2-propan-2-yloxyacetyl)amino]methyl]butanoic acid (CID 112555185) is 2-ethyl-2-[[(2-propan-2-yloxyacetyl)amino]methyl]butanoic acid.
What is the SMILES notation for 2-ethyl-2-[[(2-propan-2-yloxyacetyl)amino]methyl]butanoic acid?
The canonical SMILES for 2-ethyl-2-[[(2-propan-2-yloxyacetyl)amino]methyl]butanoic acid is CCC(CC)(CNC(=O)COC(C)C)C(=O)O.
What is the InChIKey of 2-ethyl-2-[[(2-propan-2-yloxyacetyl)amino]methyl]butanoic acid?
The InChIKey is NUKFVYJTRSYKDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO4/c1-5-12(6-2,11(15)16)8-13-10(14)7-17-9(3)4/h9H,5-8H2,1-4H3,(H,13,14)(H,15,16).
What are the key properties of 2-ethyl-2-[[(2-propan-2-yloxyacetyl)amino]methyl]butanoic acid?
2-ethyl-2-[[(2-propan-2-yloxyacetyl)amino]methyl]butanoic acid has a molecular weight of 245.32 g/mol, XLogP of 1.42, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[[(2-propan-2-yloxyacetyl)amino]methyl]butanoic acid is sourced from PubChem (CID 112555185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).