2-aminoethyl pent-2-enoate;sulfuric acid

C7H15NO6S — CID 174928511

IUPAC2-aminoethyl pent-2-enoate;sulfuric acid
SMILESCCC=CC(=O)OCCN.O=S(=O)(O)O
InChIInChI=1S/C7H13NO2.H2O4S/c1-2-3-4-7(9)10-6-5-8;1-5(2,3)4/h3-4H,2,5-6,8H2,1H3;(H2,1,2,3,4)
InChIKeyUWNFPXXOAWPLQV-UHFFFAOYSA-N
MW241.26 g/mol
LogP-0.20
Rot. Bonds4

About 2-aminoethyl pent-2-enoate;sulfuric acid

2-aminoethyl pent-2-enoate;sulfuric acid (PubChem CID 174928511) has the molecular formula C7H15NO6S and a molecular weight of 241.26 g/mol. Its IUPAC name is 2-aminoethyl pent-2-enoate;sulfuric acid.

Molecular Properties

Compound Name2-aminoethyl pent-2-enoate;sulfuric acid
PubChem CID174928511
Molecular FormulaC7H15NO6S
Molecular Weight241.26 g/mol
Exact Mass241.06
IUPAC Name2-aminoethyl pent-2-enoate;sulfuric acid
SMILESCCC=CC(=O)OCCN.O=S(=O)(O)O
InChIInChI=1S/C7H13NO2.H2O4S/c1-2-3-4-7(9)10-6-5-8;1-5(2,3)4/h3-4H,2,5-6,8H2,1H3;(H2,1,2,3,4)
InChIKeyUWNFPXXOAWPLQV-UHFFFAOYSA-N
XLogP-0.20
TPSA126.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.26
LogP ≤ 5-0.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze 2-aminoethyl pent-2-enoate;sulfuric acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl (Z)-pent-2-enoate
CID 11332473
2-butanoyloxyethyl pent-2-enoate
CID 173000504
1,1-difluoro-2-[(E)-pent-2-enoyl]oxyethanesulfonic acid
CID 129070614
2-[ethyl(ethylsulfonyloxy)amino]ethyl pent-2-enoate
CID 151908429
2-methoxyethyl (Z)-4-aminobut-2-enoate
CID 124635031
4-O-(2-aminoethyl) 1-O-methyl (E)-but-2-enedioate;hydrochloride
CID 176697469
ditetradecyl (Z)-but-2-enedioate;sulfuric acid
CID 87559442
2-aminoethyl prop-2-enoate;ethyl hydrogen sulfate
CID 174928512
acetyl pent-2-enoate
CID 139664955
2,2-dimethylpropyl pent-2-enoate
CID 141038283
octadecyl 4-aminobut-2-enoate
CID 91421373
butyl (E)-5-aminopent-2-enoate
CID 90071570

Frequently Asked Questions

What is the IUPAC name of 2-aminoethyl pent-2-enoate;sulfuric acid?
The IUPAC name of 2-aminoethyl pent-2-enoate;sulfuric acid (CID 174928511) is 2-aminoethyl pent-2-enoate;sulfuric acid.
What is the SMILES notation for 2-aminoethyl pent-2-enoate;sulfuric acid?
The canonical SMILES for 2-aminoethyl pent-2-enoate;sulfuric acid is CCC=CC(=O)OCCN.O=S(=O)(O)O.
What is the InChIKey of 2-aminoethyl pent-2-enoate;sulfuric acid?
The InChIKey is UWNFPXXOAWPLQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2.H2O4S/c1-2-3-4-7(9)10-6-5-8;1-5(2,3)4/h3-4H,2,5-6,8H2,1H3;(H2,1,2,3,4).
What are the key properties of 2-aminoethyl pent-2-enoate;sulfuric acid?
2-aminoethyl pent-2-enoate;sulfuric acid has a molecular weight of 241.26 g/mol, XLogP of -0.20, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethyl pent-2-enoate;sulfuric acid is sourced from PubChem (CID 174928511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).