2-[1-[[2-methoxyethyl(prop-2-enyl)carbamoyl]amino]cyclobutyl]acetic acid

C13H22N2O4 — CID 103339758

IUPAC2-[1-[[2-methoxyethyl(prop-2-enyl)carbamoyl]amino]cyclobutyl]acetic acid
SMILESC=CCN(CCOC)C(=O)NC1(CC(=O)O)CCC1
InChIInChI=1S/C13H22N2O4/c1-3-7-15(8-9-19-2)12(18)14-13(5-4-6-13)10-11(16)17/h3H,1,4-10H2,2H3,(H,14,18)(H,16,17)
InChIKeyBXRUJBCLVZKWSB-UHFFFAOYSA-N
MW270.33 g/mol
LogP1.23
Rot. Bonds8

About 2-[1-[[2-methoxyethyl(prop-2-enyl)carbamoyl]amino]cyclobutyl]acetic acid

2-[1-[[2-methoxyethyl(prop-2-enyl)carbamoyl]amino]cyclobutyl]acetic acid (PubChem CID 103339758) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-[1-[[2-methoxyethyl(prop-2-enyl)carbamoyl]amino]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[2-methoxyethyl(prop-2-enyl)carbamoyl]amino]cyclobutyl]acetic acid
PubChem CID103339758
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Name2-[1-[[2-methoxyethyl(prop-2-enyl)carbamoyl]amino]cyclobutyl]acetic acid
SMILESC=CCN(CCOC)C(=O)NC1(CC(=O)O)CCC1
InChIInChI=1S/C13H22N2O4/c1-3-7-15(8-9-19-2)12(18)14-13(5-4-6-13)10-11(16)17/h3H,1,4-10H2,2H3,(H,14,18)(H,16,17)
InChIKeyBXRUJBCLVZKWSB-UHFFFAOYSA-N
XLogP1.23
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[1-[[2-methoxyethyl(3-methoxypropyl)carbamoyl]amino]cyclobutyl]acetic acid
CID 79842452
2-[1-(dipropylcarbamoylamino)cyclobutyl]acetic acid
CID 79845566
2-[1-[[ethyl(propyl)carbamoyl]amino]cyclopentyl]acetic acid
CID 64700256
4-[[2-methoxyethyl(prop-2-enyl)carbamoyl]amino]-4-oxobutanoic acid
CID 103339539
3-ethyl-1-(2-methoxyethyl)-1-prop-2-enylurea
CID 103338592
2-[1-(dipropylcarbamoylamino)cyclopentyl]acetic acid
CID 64702576
2-[1-(diethylcarbamoylamino)cyclopentyl]acetic acid
CID 64701206
2-[[2-methoxyethyl(prop-2-enyl)carbamoyl]amino]butanedioic acid
CID 103339673
2-[1-(dipropylcarbamoylamino)cyclohexyl]acetic acid
CID 64702575
2-(ethylamino)-N-(2-methoxyethyl)-N-prop-2-enylacetamide
CID 103338694
2-[1-(aminomethyl)cyclohexyl]-N-(2-methoxyethyl)-N-prop-2-enylacetamide
CID 103338720
2-[1-(3-methoxypropanoylamino)cyclohexyl]acetic acid
CID 64672330

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[2-methoxyethyl(prop-2-enyl)carbamoyl]amino]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[[2-methoxyethyl(prop-2-enyl)carbamoyl]amino]cyclobutyl]acetic acid (CID 103339758) is 2-[1-[[2-methoxyethyl(prop-2-enyl)carbamoyl]amino]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[[2-methoxyethyl(prop-2-enyl)carbamoyl]amino]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[[2-methoxyethyl(prop-2-enyl)carbamoyl]amino]cyclobutyl]acetic acid is C=CCN(CCOC)C(=O)NC1(CC(=O)O)CCC1.
What is the InChIKey of 2-[1-[[2-methoxyethyl(prop-2-enyl)carbamoyl]amino]cyclobutyl]acetic acid?
The InChIKey is BXRUJBCLVZKWSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4/c1-3-7-15(8-9-19-2)12(18)14-13(5-4-6-13)10-11(16)17/h3H,1,4-10H2,2H3,(H,14,18)(H,16,17).
What are the key properties of 2-[1-[[2-methoxyethyl(prop-2-enyl)carbamoyl]amino]cyclobutyl]acetic acid?
2-[1-[[2-methoxyethyl(prop-2-enyl)carbamoyl]amino]cyclobutyl]acetic acid has a molecular weight of 270.33 g/mol, XLogP of 1.23, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[2-methoxyethyl(prop-2-enyl)carbamoyl]amino]cyclobutyl]acetic acid is sourced from PubChem (CID 103339758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).