2-[1-[[[ethyl-(2-methoxy-2-oxoethyl)carbamoyl]amino]methyl]cyclobutyl]acetic acid

C13H22N2O5 — CID 81162549

IUPAC2-[1-[[[ethyl-(2-methoxy-2-oxoethyl)carbamoyl]amino]methyl]cyclobutyl]acetic acid
SMILESCCN(CC(=O)OC)C(=O)NCC1(CC(=O)O)CCC1
InChIInChI=1S/C13H22N2O5/c1-3-15(8-11(18)20-2)12(19)14-9-13(5-4-6-13)7-10(16)17/h3-9H2,1-2H3,(H,14,19)(H,16,17)
InChIKeyOTZMEKJDBSURAK-UHFFFAOYSA-N
MW286.33 g/mol
LogP0.84
Rot. Bonds7

About 2-[1-[[[ethyl-(2-methoxy-2-oxoethyl)carbamoyl]amino]methyl]cyclobutyl]acetic acid

2-[1-[[[ethyl-(2-methoxy-2-oxoethyl)carbamoyl]amino]methyl]cyclobutyl]acetic acid (PubChem CID 81162549) has the molecular formula C13H22N2O5 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-[1-[[[ethyl-(2-methoxy-2-oxoethyl)carbamoyl]amino]methyl]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[[ethyl-(2-methoxy-2-oxoethyl)carbamoyl]amino]methyl]cyclobutyl]acetic acid
PubChem CID81162549
Molecular FormulaC13H22N2O5
Molecular Weight286.33 g/mol
Exact Mass286.15
IUPAC Name2-[1-[[[ethyl-(2-methoxy-2-oxoethyl)carbamoyl]amino]methyl]cyclobutyl]acetic acid
SMILESCCN(CC(=O)OC)C(=O)NCC1(CC(=O)O)CCC1
InChIInChI=1S/C13H22N2O5/c1-3-15(8-11(18)20-2)12(19)14-9-13(5-4-6-13)7-10(16)17/h3-9H2,1-2H3,(H,14,19)(H,16,17)
InChIKeyOTZMEKJDBSURAK-UHFFFAOYSA-N
XLogP0.84
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[[[ethyl-(2-methoxy-2-oxoethyl)carbamoyl]amino]methyl]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[[[ethyl-(2-methoxy-2-oxoethyl)carbamoyl]amino]methyl]cyclobutyl]acetic acid (CID 81162549) is 2-[1-[[[ethyl-(2-methoxy-2-oxoethyl)carbamoyl]amino]methyl]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[[[ethyl-(2-methoxy-2-oxoethyl)carbamoyl]amino]methyl]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[[[ethyl-(2-methoxy-2-oxoethyl)carbamoyl]amino]methyl]cyclobutyl]acetic acid is CCN(CC(=O)OC)C(=O)NCC1(CC(=O)O)CCC1.
What is the InChIKey of 2-[1-[[[ethyl-(2-methoxy-2-oxoethyl)carbamoyl]amino]methyl]cyclobutyl]acetic acid?
The InChIKey is OTZMEKJDBSURAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O5/c1-3-15(8-11(18)20-2)12(19)14-9-13(5-4-6-13)7-10(16)17/h3-9H2,1-2H3,(H,14,19)(H,16,17).
What are the key properties of 2-[1-[[[ethyl-(2-methoxy-2-oxoethyl)carbamoyl]amino]methyl]cyclobutyl]acetic acid?
2-[1-[[[ethyl-(2-methoxy-2-oxoethyl)carbamoyl]amino]methyl]cyclobutyl]acetic acid has a molecular weight of 286.33 g/mol, XLogP of 0.84, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[[ethyl-(2-methoxy-2-oxoethyl)carbamoyl]amino]methyl]cyclobutyl]acetic acid is sourced from PubChem (CID 81162549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).