2-[1-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]cyclobutyl]acetic acid

C13H24N2O4 — CID 81057853

IUPAC2-[1-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]cyclobutyl]acetic acid
SMILESCC(C)OCCN(C)C(=O)NC1(CC(=O)O)CCC1
InChIInChI=1S/C13H24N2O4/c1-10(2)19-8-7-15(3)12(18)14-13(5-4-6-13)9-11(16)17/h10H,4-9H2,1-3H3,(H,14,18)(H,16,17)
InChIKeyXVMKKVWAUVKGAT-UHFFFAOYSA-N
MW272.34 g/mol
LogP1.45
Rot. Bonds7

About 2-[1-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]cyclobutyl]acetic acid

2-[1-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]cyclobutyl]acetic acid (PubChem CID 81057853) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is 2-[1-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]cyclobutyl]acetic acid
PubChem CID81057853
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Name2-[1-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]cyclobutyl]acetic acid
SMILESCC(C)OCCN(C)C(=O)NC1(CC(=O)O)CCC1
InChIInChI=1S/C13H24N2O4/c1-10(2)19-8-7-15(3)12(18)14-13(5-4-6-13)9-11(16)17/h10H,4-9H2,1-3H3,(H,14,18)(H,16,17)
InChIKeyXVMKKVWAUVKGAT-UHFFFAOYSA-N
XLogP1.45
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]cyclobutyl]acetic acid (CID 81057853) is 2-[1-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]cyclobutyl]acetic acid is CC(C)OCCN(C)C(=O)NC1(CC(=O)O)CCC1.
What is the InChIKey of 2-[1-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]cyclobutyl]acetic acid?
The InChIKey is XVMKKVWAUVKGAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-10(2)19-8-7-15(3)12(18)14-13(5-4-6-13)9-11(16)17/h10H,4-9H2,1-3H3,(H,14,18)(H,16,17).
What are the key properties of 2-[1-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]cyclobutyl]acetic acid?
2-[1-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]cyclobutyl]acetic acid has a molecular weight of 272.34 g/mol, XLogP of 1.45, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]cyclobutyl]acetic acid is sourced from PubChem (CID 81057853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).