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

C11H18N2O4 — CID 129260437

IUPAC3-[2-(propanoylamino)pent-4-enoylamino]propanoic acid
SMILESC=CCC(NC(=O)CC)C(=O)NCCC(=O)O
InChIInChI=1S/C11H18N2O4/c1-3-5-8(13-9(14)4-2)11(17)12-7-6-10(15)16/h3,8H,1,4-7H2,2H3,(H,12,17)(H,13,14)(H,15,16)
InChIKeyZYDHOMPRMASXGX-UHFFFAOYSA-N
MW242.27 g/mol
LogP0.05
Rot. Bonds8

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

3-[2-(propanoylamino)pent-4-enoylamino]propanoic acid (PubChem CID 129260437) has the molecular formula C11H18N2O4 and a molecular weight of 242.27 g/mol. Its IUPAC name is 3-[2-(propanoylamino)pent-4-enoylamino]propanoic acid.

Molecular Properties

Compound Name3-[2-(propanoylamino)pent-4-enoylamino]propanoic acid
PubChem CID129260437
Molecular FormulaC11H18N2O4
Molecular Weight242.27 g/mol
Exact Mass242.13
IUPAC Name3-[2-(propanoylamino)pent-4-enoylamino]propanoic acid
SMILESC=CCC(NC(=O)CC)C(=O)NCCC(=O)O
InChIInChI=1S/C11H18N2O4/c1-3-5-8(13-9(14)4-2)11(17)12-7-6-10(15)16/h3,8H,1,4-7H2,2H3,(H,12,17)(H,13,14)(H,15,16)
InChIKeyZYDHOMPRMASXGX-UHFFFAOYSA-N
XLogP0.05
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 50.05
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

(E)-6-(2-aminopropanoylamino)hept-3-enedioic acid
CID 14407418
(E)-6-[[(2S)-2-aminopropanoyl]amino]hept-3-enedioic acid
CID 14407419
5-Prop-2-enylpiperazine-1,3-dicarboxylic acid
CID 21882452
N-methyl-2-(propanoylamino)pent-4-enamide
CID 22926605
6-(L-alanylamino)-3-heptenedioic acid
CID 53935213
(3S)-3-(pent-4-enoylamino)butanoic acid
CID 58070894
(3S)-3-(2-acetamidopent-4-enoylamino)butanoic acid
CID 58637736
Methyl 2-[2-(propanoylamino)pent-4-enoylamino]acetate
CID 58637749
2-[2-(Propanoylamino)pent-4-enoylamino]butanedioic acid
CID 58637765
(3R)-3-(2-acetamidopent-4-enoylamino)pentanoic acid
CID 58637774
Methyl 4-(ethylamino)-4-oxo-3-(pent-4-enoylamino)butanoate
CID 58637786
2-[2-(Methylamino)pent-4-enoylamino]acetic acid
CID 58637795

Frequently Asked Questions

What is the IUPAC name of 3-[2-(propanoylamino)pent-4-enoylamino]propanoic acid?
The IUPAC name of 3-[2-(propanoylamino)pent-4-enoylamino]propanoic acid (CID 129260437) is 3-[2-(propanoylamino)pent-4-enoylamino]propanoic acid.
What is the SMILES notation for 3-[2-(propanoylamino)pent-4-enoylamino]propanoic acid?
The canonical SMILES for 3-[2-(propanoylamino)pent-4-enoylamino]propanoic acid is C=CCC(NC(=O)CC)C(=O)NCCC(=O)O.
What is the InChIKey of 3-[2-(propanoylamino)pent-4-enoylamino]propanoic acid?
The InChIKey is ZYDHOMPRMASXGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4/c1-3-5-8(13-9(14)4-2)11(17)12-7-6-10(15)16/h3,8H,1,4-7H2,2H3,(H,12,17)(H,13,14)(H,15,16).
What are the key properties of 3-[2-(propanoylamino)pent-4-enoylamino]propanoic acid?
3-[2-(propanoylamino)pent-4-enoylamino]propanoic acid has a molecular weight of 242.27 g/mol, XLogP of 0.05, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(propanoylamino)pent-4-enoylamino]propanoic acid is sourced from PubChem (CID 129260437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).