2-[2-[(1-ethylcyclobutyl)carbamoylamino]-2-oxoethoxy]acetic acid

C11H18N2O5 — CID 113488835

IUPAC2-[2-[(1-ethylcyclobutyl)carbamoylamino]-2-oxoethoxy]acetic acid
SMILESCCC1(NC(=O)NC(=O)COCC(=O)O)CCC1
InChIInChI=1S/C11H18N2O5/c1-2-11(4-3-5-11)13-10(17)12-8(14)6-18-7-9(15)16/h2-7H2,1H3,(H,15,16)(H2,12,13,14,17)
InChIKeyRETHHQMYTCYSDC-UHFFFAOYSA-N
MW258.27 g/mol
LogP0.25
Rot. Bonds6

About 2-[2-[(1-ethylcyclobutyl)carbamoylamino]-2-oxoethoxy]acetic acid

2-[2-[(1-ethylcyclobutyl)carbamoylamino]-2-oxoethoxy]acetic acid (PubChem CID 113488835) has the molecular formula C11H18N2O5 and a molecular weight of 258.27 g/mol. Its IUPAC name is 2-[2-[(1-ethylcyclobutyl)carbamoylamino]-2-oxoethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[(1-ethylcyclobutyl)carbamoylamino]-2-oxoethoxy]acetic acid
PubChem CID113488835
Molecular FormulaC11H18N2O5
Molecular Weight258.27 g/mol
Exact Mass258.12
IUPAC Name2-[2-[(1-ethylcyclobutyl)carbamoylamino]-2-oxoethoxy]acetic acid
SMILESCCC1(NC(=O)NC(=O)COCC(=O)O)CCC1
InChIInChI=1S/C11H18N2O5/c1-2-11(4-3-5-11)13-10(17)12-8(14)6-18-7-9(15)16/h2-7H2,1H3,(H,15,16)(H2,12,13,14,17)
InChIKeyRETHHQMYTCYSDC-UHFFFAOYSA-N
XLogP0.25
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 50.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1-ethylcyclobutyl)carbamoylamino]-2-oxoethoxy]acetic acid?
The IUPAC name of 2-[2-[(1-ethylcyclobutyl)carbamoylamino]-2-oxoethoxy]acetic acid (CID 113488835) is 2-[2-[(1-ethylcyclobutyl)carbamoylamino]-2-oxoethoxy]acetic acid.
What is the SMILES notation for 2-[2-[(1-ethylcyclobutyl)carbamoylamino]-2-oxoethoxy]acetic acid?
The canonical SMILES for 2-[2-[(1-ethylcyclobutyl)carbamoylamino]-2-oxoethoxy]acetic acid is CCC1(NC(=O)NC(=O)COCC(=O)O)CCC1.
What is the InChIKey of 2-[2-[(1-ethylcyclobutyl)carbamoylamino]-2-oxoethoxy]acetic acid?
The InChIKey is RETHHQMYTCYSDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O5/c1-2-11(4-3-5-11)13-10(17)12-8(14)6-18-7-9(15)16/h2-7H2,1H3,(H,15,16)(H2,12,13,14,17).
What are the key properties of 2-[2-[(1-ethylcyclobutyl)carbamoylamino]-2-oxoethoxy]acetic acid?
2-[2-[(1-ethylcyclobutyl)carbamoylamino]-2-oxoethoxy]acetic acid has a molecular weight of 258.27 g/mol, XLogP of 0.25, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(1-ethylcyclobutyl)carbamoylamino]-2-oxoethoxy]acetic acid is sourced from PubChem (CID 113488835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).