2-[2-(propanoylamino)pent-4-enoylamino]acetic acid

C10H16N2O4 — CID 58637810

IUPAC2-[2-(propanoylamino)pent-4-enoylamino]acetic acid
SMILESC=CCC(NC(=O)CC)C(=O)NCC(=O)O
InChIInChI=1S/C10H16N2O4/c1-3-5-7(12-8(13)4-2)10(16)11-6-9(14)15/h3,7H,1,4-6H2,2H3,(H,11,16)(H,12,13)(H,14,15)
InChIKeyKEOBXSFOQSEBRH-UHFFFAOYSA-N
MW228.25 g/mol
LogP-0.34
Rot. Bonds7

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

2-[2-(propanoylamino)pent-4-enoylamino]acetic acid (PubChem CID 58637810) has the molecular formula C10H16N2O4 and a molecular weight of 228.25 g/mol. Its IUPAC name is 2-[2-(propanoylamino)pent-4-enoylamino]acetic acid.

Molecular Properties

Compound Name2-[2-(propanoylamino)pent-4-enoylamino]acetic acid
PubChem CID58637810
Molecular FormulaC10H16N2O4
Molecular Weight228.25 g/mol
Exact Mass228.11
IUPAC Name2-[2-(propanoylamino)pent-4-enoylamino]acetic acid
SMILESC=CCC(NC(=O)CC)C(=O)NCC(=O)O
InChIInChI=1S/C10H16N2O4/c1-3-5-7(12-8(13)4-2)10(16)11-6-9(14)15/h3,7H,1,4-6H2,2H3,(H,11,16)(H,12,13)(H,14,15)
InChIKeyKEOBXSFOQSEBRH-UHFFFAOYSA-N
XLogP-0.34
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 5-0.34
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

2-Acetamidopent-4-enoic acid
CID 321142
2-((4Z,7Z,10Z,13Z,16Z,19Z)-Docosa-4,7,10,13,16,19-hexaenamido)propanoic acid
CID 16759339
Glycine, N-(1-oxo-4-pentenyl)-
CID 45082235
2-(Docosa-4,7,10,13,16,19-hexaenoylamino)propanoic acid
CID 73324766
2-(Propanoylamino)pent-4-enoic acid
CID 321156
7-amino-8-oxo-2,3,6,7-tetrahydro-1H-azocine-2-carboxylic acid
CID 91219350
2-{2-[(2,2,2-Trifluoroethyl)amino]acetamido}pent-4-enoic acid
CID 81769895
2-[2-Aminopent-4-enoyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 81778068
(2S)-2-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]pent-4-enoic acid
CID 124596166
(2R)-2-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]pent-4-enoic acid
CID 124596167
4,5-Octadienoylglycine
CID 131802975
4-Octenoylglycine
CID 131802983

Frequently Asked Questions

What is the IUPAC name of 2-[2-(propanoylamino)pent-4-enoylamino]acetic acid?
The IUPAC name of 2-[2-(propanoylamino)pent-4-enoylamino]acetic acid (CID 58637810) is 2-[2-(propanoylamino)pent-4-enoylamino]acetic acid.
What is the SMILES notation for 2-[2-(propanoylamino)pent-4-enoylamino]acetic acid?
The canonical SMILES for 2-[2-(propanoylamino)pent-4-enoylamino]acetic acid is C=CCC(NC(=O)CC)C(=O)NCC(=O)O.
What is the InChIKey of 2-[2-(propanoylamino)pent-4-enoylamino]acetic acid?
The InChIKey is KEOBXSFOQSEBRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4/c1-3-5-7(12-8(13)4-2)10(16)11-6-9(14)15/h3,7H,1,4-6H2,2H3,(H,11,16)(H,12,13)(H,14,15).
What are the key properties of 2-[2-(propanoylamino)pent-4-enoylamino]acetic acid?
2-[2-(propanoylamino)pent-4-enoylamino]acetic acid has a molecular weight of 228.25 g/mol, XLogP of -0.34, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(propanoylamino)pent-4-enoylamino]acetic acid is sourced from PubChem (CID 58637810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).