2-acetamido-3-(2-but-3-enoxyethylamino)propanoic acid

C11H20N2O4 — CID 106402035

IUPAC2-acetamido-3-(2-but-3-enoxyethylamino)propanoic acid
SMILESC=CCCOCCNCC(NC(C)=O)C(=O)O
InChIInChI=1S/C11H20N2O4/c1-3-4-6-17-7-5-12-8-10(11(15)16)13-9(2)14/h3,10,12H,1,4-8H2,2H3,(H,13,14)(H,15,16)
InChIKeyOEHCKFSITYOZLA-UHFFFAOYSA-N
MW244.29 g/mol
LogP-0.24
Rot. Bonds10

About 2-acetamido-3-(2-but-3-enoxyethylamino)propanoic acid

2-acetamido-3-(2-but-3-enoxyethylamino)propanoic acid (PubChem CID 106402035) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-acetamido-3-(2-but-3-enoxyethylamino)propanoic acid.

Molecular Properties

Compound Name2-acetamido-3-(2-but-3-enoxyethylamino)propanoic acid
PubChem CID106402035
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name2-acetamido-3-(2-but-3-enoxyethylamino)propanoic acid
SMILESC=CCCOCCNCC(NC(C)=O)C(=O)O
InChIInChI=1S/C11H20N2O4/c1-3-4-6-17-7-5-12-8-10(11(15)16)13-9(2)14/h3,10,12H,1,4-8H2,2H3,(H,13,14)(H,15,16)
InChIKeyOEHCKFSITYOZLA-UHFFFAOYSA-N
XLogP-0.24
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 5-0.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-acetamido-3-but-3-enoxypropanoic acid
CID 46900123
methyl 3-(2-but-3-enoxyethylamino)-2-methylpropanoate
CID 106401667
benzyl 3-(2-but-3-enoxyethylamino)-2-methylpropanoate
CID 106401798
N-(2-but-3-enoxyethyl)-2-methyl-3-(methylamino)propanamide
CID 106398280
2-acetamido-3-(2-methylprop-2-enylamino)propanoic acid
CID 114616873
(Z)-4-(2-but-3-enoxyethylamino)-2-methylbut-2-enoic acid
CID 106402209
2-acetamido-3-(2-cyclopentyloxyethylamino)propanoic acid
CID 64582086
N-(2-but-3-enoxyethyl)-2,2-difluoroethanamine
CID 106401641
methyl 2-acetamido-3-(2-ethoxyethylamino)propanoate
CID 103230126
2-(2-but-3-enoxyethylcarbamoylamino)-5-methoxypentanoic acid
CID 106405069
(2R)-2-(2-but-3-enoxyethylcarbamoylamino)-5-methoxy-5-oxopentanoic acid
CID 106404798
methyl 2-acetamido-3-(2-butoxyethylamino)propanoate
CID 103242734

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-3-(2-but-3-enoxyethylamino)propanoic acid?
The IUPAC name of 2-acetamido-3-(2-but-3-enoxyethylamino)propanoic acid (CID 106402035) is 2-acetamido-3-(2-but-3-enoxyethylamino)propanoic acid.
What is the SMILES notation for 2-acetamido-3-(2-but-3-enoxyethylamino)propanoic acid?
The canonical SMILES for 2-acetamido-3-(2-but-3-enoxyethylamino)propanoic acid is C=CCCOCCNCC(NC(C)=O)C(=O)O.
What is the InChIKey of 2-acetamido-3-(2-but-3-enoxyethylamino)propanoic acid?
The InChIKey is OEHCKFSITYOZLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-3-4-6-17-7-5-12-8-10(11(15)16)13-9(2)14/h3,10,12H,1,4-8H2,2H3,(H,13,14)(H,15,16).
What are the key properties of 2-acetamido-3-(2-but-3-enoxyethylamino)propanoic acid?
2-acetamido-3-(2-but-3-enoxyethylamino)propanoic acid has a molecular weight of 244.29 g/mol, XLogP of -0.24, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-3-(2-but-3-enoxyethylamino)propanoic acid is sourced from PubChem (CID 106402035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).