3-(2-acetamidopent-4-enoylamino)propanoic acid

C10H16N2O4 — CID 129260462

IUPAC3-(2-acetamidopent-4-enoylamino)propanoic acid
SMILESC=CCC(NC(C)=O)C(=O)NCCC(=O)O
InChIInChI=1S/C10H16N2O4/c1-3-4-8(12-7(2)13)10(16)11-6-5-9(14)15/h3,8H,1,4-6H2,2H3,(H,11,16)(H,12,13)(H,14,15)
InChIKeyCKZNPYZDCRHHKU-UHFFFAOYSA-N
MW228.25 g/mol
LogP-0.34
Rot. Bonds7

About 3-(2-acetamidopent-4-enoylamino)propanoic acid

3-(2-acetamidopent-4-enoylamino)propanoic acid (PubChem CID 129260462) has the molecular formula C10H16N2O4 and a molecular weight of 228.25 g/mol. Its IUPAC name is 3-(2-acetamidopent-4-enoylamino)propanoic acid.

Molecular Properties

Compound Name3-(2-acetamidopent-4-enoylamino)propanoic acid
PubChem CID129260462
Molecular FormulaC10H16N2O4
Molecular Weight228.25 g/mol
Exact Mass228.11
IUPAC Name3-(2-acetamidopent-4-enoylamino)propanoic acid
SMILESC=CCC(NC(C)=O)C(=O)NCCC(=O)O
InChIInChI=1S/C10H16N2O4/c1-3-4-8(12-7(2)13)10(16)11-6-5-9(14)15/h3,8H,1,4-6H2,2H3,(H,11,16)(H,12,13)(H,14,15)
InChIKeyCKZNPYZDCRHHKU-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

4-acetamido-5-oxo-5-(3-oxobutylamino)pentanoic acid
CID 89197770
3-[3-[3-[3-[3-[[2-[4-[3-[3-[3-[3-[(2-acetamido-6-aminohexanoyl)amino]propanoylamino]propanoylamino]propanoylamino]propanoylamino]but-1-en-2-ylamino]-6-aminohexanoyl]amino]propanoylamino]propanoylamino]propanoylamino]propanoylamino]propanoic acid
CID 118085728
4-(2-prop-2-enylpent-4-enoylamino)butanoic acid
CID 119352381
N-(1-acetamidobut-3-enyl)acetamide
CID 88635946
(4S)-4-acetamido-5-hydroxyhex-5-enoic acid
CID 58379239
tert-butyl N-[1-oxo-1-(propylamino)pent-4-en-2-yl]carbamate
CID 163901236
(2R)-2-acetamidopentanedioic acid
CID 161394708
3-[[6-(acetylamino)-2-((113C)methylamino)hexanoyl]amino]propanoic acid
CID 162702217
bis(3-(2-methylpropanoylamino)propanoic acid);tetrahydrate
CID 174949925
(3S)-3-amino-4-(2-carboxyethylamino)-4-oxobutanoic acid
CID 7019995
2-acetamido-N-[3-(methylamino)-3-oxopropyl]-3-sulfanylpropanamide
CID 107769385
N-[(1R)-1-phenylbut-3-enyl]acetamide
CID 40521523

Frequently Asked Questions

What is the IUPAC name of 3-(2-acetamidopent-4-enoylamino)propanoic acid?
The IUPAC name of 3-(2-acetamidopent-4-enoylamino)propanoic acid (CID 129260462) is 3-(2-acetamidopent-4-enoylamino)propanoic acid.
What is the SMILES notation for 3-(2-acetamidopent-4-enoylamino)propanoic acid?
The canonical SMILES for 3-(2-acetamidopent-4-enoylamino)propanoic acid is C=CCC(NC(C)=O)C(=O)NCCC(=O)O.
What is the InChIKey of 3-(2-acetamidopent-4-enoylamino)propanoic acid?
The InChIKey is CKZNPYZDCRHHKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4/c1-3-4-8(12-7(2)13)10(16)11-6-5-9(14)15/h3,8H,1,4-6H2,2H3,(H,11,16)(H,12,13)(H,14,15).
What are the key properties of 3-(2-acetamidopent-4-enoylamino)propanoic acid?
3-(2-acetamidopent-4-enoylamino)propanoic 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 3-(2-acetamidopent-4-enoylamino)propanoic acid is sourced from PubChem (CID 129260462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).