4-[[2-methoxyethyl(prop-2-enyl)carbamoyl]amino]-4-oxobutanoic acid

C11H18N2O5 — CID 103339539

IUPAC4-[[2-methoxyethyl(prop-2-enyl)carbamoyl]amino]-4-oxobutanoic acid
SMILESC=CCN(CCOC)C(=O)NC(=O)CCC(=O)O
InChIInChI=1S/C11H18N2O5/c1-3-6-13(7-8-18-2)11(17)12-9(14)4-5-10(15)16/h3H,1,4-8H2,2H3,(H,15,16)(H,12,14,17)
InChIKeyFZCURNWUUALAQE-UHFFFAOYSA-N
MW258.27 g/mol
LogP0.22
Rot. Bonds8

About 4-[[2-methoxyethyl(prop-2-enyl)carbamoyl]amino]-4-oxobutanoic acid

4-[[2-methoxyethyl(prop-2-enyl)carbamoyl]amino]-4-oxobutanoic acid (PubChem CID 103339539) has the molecular formula C11H18N2O5 and a molecular weight of 258.27 g/mol. Its IUPAC name is 4-[[2-methoxyethyl(prop-2-enyl)carbamoyl]amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[[2-methoxyethyl(prop-2-enyl)carbamoyl]amino]-4-oxobutanoic acid
PubChem CID103339539
Molecular FormulaC11H18N2O5
Molecular Weight258.27 g/mol
Exact Mass258.12
IUPAC Name4-[[2-methoxyethyl(prop-2-enyl)carbamoyl]amino]-4-oxobutanoic acid
SMILESC=CCN(CCOC)C(=O)NC(=O)CCC(=O)O
InChIInChI=1S/C11H18N2O5/c1-3-6-13(7-8-18-2)11(17)12-9(14)4-5-10(15)16/h3H,1,4-8H2,2H3,(H,15,16)(H,12,14,17)
InChIKeyFZCURNWUUALAQE-UHFFFAOYSA-N
XLogP0.22
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-ethyl-1-(2-methoxyethyl)-1-prop-2-enylurea
CID 103338592
2-[[2-methoxyethyl(prop-2-enyl)carbamoyl]amino]butanedioic acid
CID 103339673
6-[[2-methoxyethyl(methyl)carbamoyl]amino]-6-oxohexanoic acid
CID 61428231
4-chloro-N-(2-methoxyethyl)-N-prop-2-enylbutanamide
CID 103338580
2-[1-[[2-methoxyethyl(prop-2-enyl)carbamoyl]amino]cyclobutyl]acetic acid
CID 103339758
N-(2-methoxyethyl)-3-oxo-N-prop-2-enylbutanamide
CID 103338945
N-[bis(prop-2-enyl)carbamoyl]-3-chloropropanamide
CID 43145956
5-bromo-N-(2-methoxyethyl)-N-prop-2-enylpentanamide
CID 107910751
5-[2-methoxyethyl(prop-2-enyl)amino]-3,3-dimethyl-5-oxopentanoic acid
CID 103338494
2,2-difluoro-N-(2-methoxyethyl)-N-prop-2-enylacetamide
CID 103516152
2-[2-[bis(prop-2-enyl)carbamoylamino]-2-oxoethoxy]acetic acid
CID 61328855
2-(ethylamino)-N-(2-methoxyethyl)-N-prop-2-enylacetamide
CID 103338694

Frequently Asked Questions

What is the IUPAC name of 4-[[2-methoxyethyl(prop-2-enyl)carbamoyl]amino]-4-oxobutanoic acid?
The IUPAC name of 4-[[2-methoxyethyl(prop-2-enyl)carbamoyl]amino]-4-oxobutanoic acid (CID 103339539) is 4-[[2-methoxyethyl(prop-2-enyl)carbamoyl]amino]-4-oxobutanoic acid.
What is the SMILES notation for 4-[[2-methoxyethyl(prop-2-enyl)carbamoyl]amino]-4-oxobutanoic acid?
The canonical SMILES for 4-[[2-methoxyethyl(prop-2-enyl)carbamoyl]amino]-4-oxobutanoic acid is C=CCN(CCOC)C(=O)NC(=O)CCC(=O)O.
What is the InChIKey of 4-[[2-methoxyethyl(prop-2-enyl)carbamoyl]amino]-4-oxobutanoic acid?
The InChIKey is FZCURNWUUALAQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O5/c1-3-6-13(7-8-18-2)11(17)12-9(14)4-5-10(15)16/h3H,1,4-8H2,2H3,(H,15,16)(H,12,14,17).
What are the key properties of 4-[[2-methoxyethyl(prop-2-enyl)carbamoyl]amino]-4-oxobutanoic acid?
4-[[2-methoxyethyl(prop-2-enyl)carbamoyl]amino]-4-oxobutanoic acid has a molecular weight of 258.27 g/mol, XLogP of 0.22, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-methoxyethyl(prop-2-enyl)carbamoyl]amino]-4-oxobutanoic acid is sourced from PubChem (CID 103339539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).