2-(furan-2-carbonylamino)pent-4-enoic acid

C10H11NO4 — CID 115563156

IUPAC2-(furan-2-carbonylamino)pent-4-enoic acid
SMILESC=CCC(NC(=O)c1ccco1)C(=O)O
InChIInChI=1S/C10H11NO4/c1-2-4-7(10(13)14)11-9(12)8-5-3-6-15-8/h2-3,5-7H,1,4H2,(H,11,12)(H,13,14)
InChIKeyNAZCNWZIMVAMLW-UHFFFAOYSA-N
MW209.20 g/mol
LogP1.04
Rot. Bonds5

About 2-(furan-2-carbonylamino)pent-4-enoic acid

2-(furan-2-carbonylamino)pent-4-enoic acid (PubChem CID 115563156) has the molecular formula C10H11NO4 and a molecular weight of 209.20 g/mol. Its IUPAC name is 2-(furan-2-carbonylamino)pent-4-enoic acid.

Molecular Properties

Compound Name2-(furan-2-carbonylamino)pent-4-enoic acid
PubChem CID115563156
Molecular FormulaC10H11NO4
Molecular Weight209.20 g/mol
Exact Mass209.07
IUPAC Name2-(furan-2-carbonylamino)pent-4-enoic acid
SMILESC=CCC(NC(=O)c1ccco1)C(=O)O
InChIInChI=1S/C10H11NO4/c1-2-4-7(10(13)14)11-9(12)8-5-3-6-15-8/h2-3,5-7H,1,4H2,(H,11,12)(H,13,14)
InChIKeyNAZCNWZIMVAMLW-UHFFFAOYSA-N
XLogP1.04
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-(furan-2-carbonylamino)butanoic acid
CID 858760
(2S)-2-(furan-2-carbonylamino)propanoic acid
CID 792932
(2R)-2-(furan-2-carbonylamino)-3-(4-hydroxy-3,5-diiodophenyl)propanoic acid
CID 99067980
2-[[2-(furan-2-carbonylamino)-3-phenylpropanoyl]amino]butanoic acid
CID 119223465
(2S)-2-(furan-2-carbonylamino)butanedioate
CID 6923142
2-(furan-2-carbonylamino)-3-(1H-imidazol-5-yl)propanoic acid
CID 16774090
[(E)-but-2-enyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 55936409
(2R)-2-[2-(furan-2-carbonylamino)propanoylamino]-4-hydroxybutanoic acid
CID 107822895
N-[(2S)-1-phenylpropan-2-yl]furan-2-carboxamide
CID 768448
2-[[(2S)-2-(furan-2-carbonylamino)-3-phenylpropanoyl]amino]acetic acid
CID 124704803
ethyl 2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 43877560
2-cyclopropyl-2-(furan-2-carbonylamino)acetic acid
CID 62697228

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-carbonylamino)pent-4-enoic acid?
The IUPAC name of 2-(furan-2-carbonylamino)pent-4-enoic acid (CID 115563156) is 2-(furan-2-carbonylamino)pent-4-enoic acid.
What is the SMILES notation for 2-(furan-2-carbonylamino)pent-4-enoic acid?
The canonical SMILES for 2-(furan-2-carbonylamino)pent-4-enoic acid is C=CCC(NC(=O)c1ccco1)C(=O)O.
What is the InChIKey of 2-(furan-2-carbonylamino)pent-4-enoic acid?
The InChIKey is NAZCNWZIMVAMLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO4/c1-2-4-7(10(13)14)11-9(12)8-5-3-6-15-8/h2-3,5-7H,1,4H2,(H,11,12)(H,13,14).
What are the key properties of 2-(furan-2-carbonylamino)pent-4-enoic acid?
2-(furan-2-carbonylamino)pent-4-enoic acid has a molecular weight of 209.20 g/mol, XLogP of 1.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-carbonylamino)pent-4-enoic acid is sourced from PubChem (CID 115563156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).