3-[2-(ethylamino)pent-4-enoylamino]propanoic acid

C10H18N2O3 — CID 142982562

IUPAC3-[2-(ethylamino)pent-4-enoylamino]propanoic acid
SMILESC=CCC(NCC)C(=O)NCCC(=O)O
InChIInChI=1S/C10H18N2O3/c1-3-5-8(11-4-2)10(15)12-7-6-9(13)14/h3,8,11H,1,4-7H2,2H3,(H,12,15)(H,13,14)
InChIKeyXZARISZUSGEXRH-UHFFFAOYSA-N
MW214.26 g/mol
LogP0.13
Rot. Bonds8

About 3-[2-(ethylamino)pent-4-enoylamino]propanoic acid

3-[2-(ethylamino)pent-4-enoylamino]propanoic acid (PubChem CID 142982562) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is 3-[2-(ethylamino)pent-4-enoylamino]propanoic acid.

Molecular Properties

Compound Name3-[2-(ethylamino)pent-4-enoylamino]propanoic acid
PubChem CID142982562
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name3-[2-(ethylamino)pent-4-enoylamino]propanoic acid
SMILESC=CCC(NCC)C(=O)NCCC(=O)O
InChIInChI=1S/C10H18N2O3/c1-3-5-8(11-4-2)10(15)12-7-6-9(13)14/h3,8,11H,1,4-7H2,2H3,(H,12,15)(H,13,14)
InChIKeyXZARISZUSGEXRH-UHFFFAOYSA-N
XLogP0.13
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 50.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-2-(propanoylamino)pent-4-enamide
CID 22926605
3-(Pent-4-enoylamino)propanoic acid
CID 57874017
(3S)-3-(pent-4-enoylamino)butanoic acid
CID 58070894
(3S)-3-(2-acetamidopent-4-enoylamino)butanoic acid
CID 58637736
2-acetamido-N-methylpent-4-enamide
CID 58637759
2-[2-(Propanoylamino)pent-4-enoylamino]butanedioic acid
CID 58637765
(3R)-3-(2-acetamidopent-4-enoylamino)pentanoic acid
CID 58637774
2-[2-(Methylamino)pent-4-enoylamino]acetic acid
CID 58637795
2-[2-(Methylamino)pent-4-enoylamino]butanedioic acid
CID 58637800
2-[2-(Propanoylamino)pent-4-enoylamino]acetic acid
CID 58637810
3-[2-[[(E)-4-methylpent-2-enoyl]amino]pent-4-enoylamino]propanoic acid
CID 58747514
Methyl 3-(2-aminopent-4-enoylamino)propanoate
CID 58747518

Frequently Asked Questions

What is the IUPAC name of 3-[2-(ethylamino)pent-4-enoylamino]propanoic acid?
The IUPAC name of 3-[2-(ethylamino)pent-4-enoylamino]propanoic acid (CID 142982562) is 3-[2-(ethylamino)pent-4-enoylamino]propanoic acid.
What is the SMILES notation for 3-[2-(ethylamino)pent-4-enoylamino]propanoic acid?
The canonical SMILES for 3-[2-(ethylamino)pent-4-enoylamino]propanoic acid is C=CCC(NCC)C(=O)NCCC(=O)O.
What is the InChIKey of 3-[2-(ethylamino)pent-4-enoylamino]propanoic acid?
The InChIKey is XZARISZUSGEXRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-3-5-8(11-4-2)10(15)12-7-6-9(13)14/h3,8,11H,1,4-7H2,2H3,(H,12,15)(H,13,14).
What are the key properties of 3-[2-(ethylamino)pent-4-enoylamino]propanoic acid?
3-[2-(ethylamino)pent-4-enoylamino]propanoic acid has a molecular weight of 214.26 g/mol, XLogP of 0.13, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(ethylamino)pent-4-enoylamino]propanoic acid is sourced from PubChem (CID 142982562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).