5-[2-methoxyethyl(prop-2-enyl)amino]-3,3-dimethyl-5-oxopentanoic acid

C13H23NO4 — CID 103338494

IUPAC5-[2-methoxyethyl(prop-2-enyl)amino]-3,3-dimethyl-5-oxopentanoic acid
SMILESC=CCN(CCOC)C(=O)CC(C)(C)CC(=O)O
InChIInChI=1S/C13H23NO4/c1-5-6-14(7-8-18-4)11(15)9-13(2,3)10-12(16)17/h5H,1,6-10H2,2-4H3,(H,16,17)
InChIKeyPZSLZOKBFFNKMI-UHFFFAOYSA-N
MW257.33 g/mol
LogP1.54
Rot. Bonds9

About 5-[2-methoxyethyl(prop-2-enyl)amino]-3,3-dimethyl-5-oxopentanoic acid

5-[2-methoxyethyl(prop-2-enyl)amino]-3,3-dimethyl-5-oxopentanoic acid (PubChem CID 103338494) has the molecular formula C13H23NO4 and a molecular weight of 257.33 g/mol. Its IUPAC name is 5-[2-methoxyethyl(prop-2-enyl)amino]-3,3-dimethyl-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[2-methoxyethyl(prop-2-enyl)amino]-3,3-dimethyl-5-oxopentanoic acid
PubChem CID103338494
Molecular FormulaC13H23NO4
Molecular Weight257.33 g/mol
Exact Mass257.16
IUPAC Name5-[2-methoxyethyl(prop-2-enyl)amino]-3,3-dimethyl-5-oxopentanoic acid
SMILESC=CCN(CCOC)C(=O)CC(C)(C)CC(=O)O
InChIInChI=1S/C13H23NO4/c1-5-6-14(7-8-18-4)11(15)9-13(2,3)10-12(16)17/h5H,1,6-10H2,2-4H3,(H,16,17)
InChIKeyPZSLZOKBFFNKMI-UHFFFAOYSA-N
XLogP1.54
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[bis(prop-2-enyl)amino]-3,3-dimethyl-5-oxopentanoic acid
CID 55157304
3-amino-N-(2-methoxyethyl)-3-methyl-N-prop-2-enylbutanamide
CID 103338897
5-[ethyl(2-methoxyethyl)amino]-3,3-dimethyl-5-oxopentanoic acid
CID 62933567
5-[2-cyanoethyl(2-methoxyethyl)amino]-3,3-dimethyl-5-oxopentanoic acid
CID 63285346
N-(2-methoxyethyl)-3-oxo-N-prop-2-enylbutanamide
CID 103338945
3-amino-N-(2-methoxyethyl)-4,4-dimethyl-N-prop-2-enylpentanamide
CID 103338776
2-amino-N-(2-methoxyethyl)-2-methyl-N-prop-2-enylpropanamide
CID 103338789
4-chloro-N-(2-methoxyethyl)-N-prop-2-enylbutanamide
CID 103338580
5-bromo-N-(2-methoxyethyl)-N-prop-2-enylpentanamide
CID 107910751
2-(ethylamino)-N-(2-methoxyethyl)-N-prop-2-enylacetamide
CID 103338694
ethyl 2-[2-methoxyethyl(prop-2-enyl)carbamoyl]-3,3-dimethylbutanoate
CID 103339953
2,2-difluoro-N-(2-methoxyethyl)-N-prop-2-enylacetamide
CID 103516152

Frequently Asked Questions

What is the IUPAC name of 5-[2-methoxyethyl(prop-2-enyl)amino]-3,3-dimethyl-5-oxopentanoic acid?
The IUPAC name of 5-[2-methoxyethyl(prop-2-enyl)amino]-3,3-dimethyl-5-oxopentanoic acid (CID 103338494) is 5-[2-methoxyethyl(prop-2-enyl)amino]-3,3-dimethyl-5-oxopentanoic acid.
What is the SMILES notation for 5-[2-methoxyethyl(prop-2-enyl)amino]-3,3-dimethyl-5-oxopentanoic acid?
The canonical SMILES for 5-[2-methoxyethyl(prop-2-enyl)amino]-3,3-dimethyl-5-oxopentanoic acid is C=CCN(CCOC)C(=O)CC(C)(C)CC(=O)O.
What is the InChIKey of 5-[2-methoxyethyl(prop-2-enyl)amino]-3,3-dimethyl-5-oxopentanoic acid?
The InChIKey is PZSLZOKBFFNKMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO4/c1-5-6-14(7-8-18-4)11(15)9-13(2,3)10-12(16)17/h5H,1,6-10H2,2-4H3,(H,16,17).
What are the key properties of 5-[2-methoxyethyl(prop-2-enyl)amino]-3,3-dimethyl-5-oxopentanoic acid?
5-[2-methoxyethyl(prop-2-enyl)amino]-3,3-dimethyl-5-oxopentanoic acid has a molecular weight of 257.33 g/mol, XLogP of 1.54, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-methoxyethyl(prop-2-enyl)amino]-3,3-dimethyl-5-oxopentanoic acid is sourced from PubChem (CID 103338494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).