2-[(2-ethoxy-2-oxoethyl)carbamoylamino]-2-methylpentanoic acid

C11H20N2O5 — CID 61206573

IUPAC2-[(2-ethoxy-2-oxoethyl)carbamoylamino]-2-methylpentanoic acid
SMILESCCCC(C)(NC(=O)NCC(=O)OCC)C(=O)O
InChIInChI=1S/C11H20N2O5/c1-4-6-11(3,9(15)16)13-10(17)12-7-8(14)18-5-2/h4-7H2,1-3H3,(H,15,16)(H2,12,13,17)
InChIKeyRZXLRLAGTJSQLY-UHFFFAOYSA-N
MW260.29 g/mol
LogP0.49
Rot. Bonds7

About 2-[(2-ethoxy-2-oxoethyl)carbamoylamino]-2-methylpentanoic acid

2-[(2-ethoxy-2-oxoethyl)carbamoylamino]-2-methylpentanoic acid (PubChem CID 61206573) has the molecular formula C11H20N2O5 and a molecular weight of 260.29 g/mol. Its IUPAC name is 2-[(2-ethoxy-2-oxoethyl)carbamoylamino]-2-methylpentanoic acid.

Molecular Properties

Compound Name2-[(2-ethoxy-2-oxoethyl)carbamoylamino]-2-methylpentanoic acid
PubChem CID61206573
Molecular FormulaC11H20N2O5
Molecular Weight260.29 g/mol
Exact Mass260.14
IUPAC Name2-[(2-ethoxy-2-oxoethyl)carbamoylamino]-2-methylpentanoic acid
SMILESCCCC(C)(NC(=O)NCC(=O)OCC)C(=O)O
InChIInChI=1S/C11H20N2O5/c1-4-6-11(3,9(15)16)13-10(17)12-7-8(14)18-5-2/h4-7H2,1-3H3,(H,15,16)(H2,12,13,17)
InChIKeyRZXLRLAGTJSQLY-UHFFFAOYSA-N
XLogP0.49
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethoxy-2-oxoethyl)carbamoylamino]-2-methylpentanoic acid?
The IUPAC name of 2-[(2-ethoxy-2-oxoethyl)carbamoylamino]-2-methylpentanoic acid (CID 61206573) is 2-[(2-ethoxy-2-oxoethyl)carbamoylamino]-2-methylpentanoic acid.
What is the SMILES notation for 2-[(2-ethoxy-2-oxoethyl)carbamoylamino]-2-methylpentanoic acid?
The canonical SMILES for 2-[(2-ethoxy-2-oxoethyl)carbamoylamino]-2-methylpentanoic acid is CCCC(C)(NC(=O)NCC(=O)OCC)C(=O)O.
What is the InChIKey of 2-[(2-ethoxy-2-oxoethyl)carbamoylamino]-2-methylpentanoic acid?
The InChIKey is RZXLRLAGTJSQLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O5/c1-4-6-11(3,9(15)16)13-10(17)12-7-8(14)18-5-2/h4-7H2,1-3H3,(H,15,16)(H2,12,13,17).
What are the key properties of 2-[(2-ethoxy-2-oxoethyl)carbamoylamino]-2-methylpentanoic acid?
2-[(2-ethoxy-2-oxoethyl)carbamoylamino]-2-methylpentanoic acid has a molecular weight of 260.29 g/mol, XLogP of 0.49, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethoxy-2-oxoethyl)carbamoylamino]-2-methylpentanoic acid is sourced from PubChem (CID 61206573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).