2-(furo[3,2-c]pyridin-4-ylamino)pent-4-enoic acid

C12H12N2O3 — CID 106534958

IUPAC2-(furo[3,2-c]pyridin-4-ylamino)pent-4-enoic acid
SMILESC=CCC(Nc1nccc2occc12)C(=O)O
InChIInChI=1S/C12H12N2O3/c1-2-3-9(12(15)16)14-11-8-5-7-17-10(8)4-6-13-11/h2,4-7,9H,1,3H2,(H,13,14)(H,15,16)
InChIKeyWFQCCKIHYPTRAK-UHFFFAOYSA-N
MW232.24 g/mol
LogP2.27
Rot. Bonds5

About 2-(furo[3,2-c]pyridin-4-ylamino)pent-4-enoic acid

2-(furo[3,2-c]pyridin-4-ylamino)pent-4-enoic acid (PubChem CID 106534958) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is 2-(furo[3,2-c]pyridin-4-ylamino)pent-4-enoic acid.

Molecular Properties

Compound Name2-(furo[3,2-c]pyridin-4-ylamino)pent-4-enoic acid
PubChem CID106534958
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Name2-(furo[3,2-c]pyridin-4-ylamino)pent-4-enoic acid
SMILESC=CCC(Nc1nccc2occc12)C(=O)O
InChIInChI=1S/C12H12N2O3/c1-2-3-9(12(15)16)14-11-8-5-7-17-10(8)4-6-13-11/h2,4-7,9H,1,3H2,(H,13,14)(H,15,16)
InChIKeyWFQCCKIHYPTRAK-UHFFFAOYSA-N
XLogP2.27
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-(furo[3,2-c]pyridin-4-ylamino)-3-methylbutanoic acid
CID 122050846
2-[(3-methylpyrazin-2-yl)amino]pent-4-enoic acid
CID 83062688
2-(furo[3,2-c]pyridin-4-ylamino)-N-methylpropanamide
CID 106535100
N-but-3-en-2-ylfuro[3,2-c]pyridin-4-amine
CID 103750018
2-(furo[3,2-c]pyridin-4-ylamino)propan-1-ol
CID 103729109
2-(furo[3,2-c]pyridin-4-ylamino)-N-propan-2-ylpropanamide
CID 106535186
3-(furo[3,2-c]pyridin-4-ylamino)pentan-1-ol
CID 103703374
3-(furo[3,2-c]pyridin-4-ylamino)butan-1-ol
CID 103703297
2-[(furo[3,2-c]pyridin-4-ylamino)methyl]pentanoic acid
CID 106534898
N-(3-methylpentan-2-yl)furo[3,2-c]pyridin-4-amine
CID 103819957
2-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]pent-4-enoic acid
CID 104729771
N-(4-chloro-3-methylbutan-2-yl)furo[3,2-c]pyridin-4-amine
CID 106535732

Frequently Asked Questions

What is the IUPAC name of 2-(furo[3,2-c]pyridin-4-ylamino)pent-4-enoic acid?
The IUPAC name of 2-(furo[3,2-c]pyridin-4-ylamino)pent-4-enoic acid (CID 106534958) is 2-(furo[3,2-c]pyridin-4-ylamino)pent-4-enoic acid.
What is the SMILES notation for 2-(furo[3,2-c]pyridin-4-ylamino)pent-4-enoic acid?
The canonical SMILES for 2-(furo[3,2-c]pyridin-4-ylamino)pent-4-enoic acid is C=CCC(Nc1nccc2occc12)C(=O)O.
What is the InChIKey of 2-(furo[3,2-c]pyridin-4-ylamino)pent-4-enoic acid?
The InChIKey is WFQCCKIHYPTRAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c1-2-3-9(12(15)16)14-11-8-5-7-17-10(8)4-6-13-11/h2,4-7,9H,1,3H2,(H,13,14)(H,15,16).
What are the key properties of 2-(furo[3,2-c]pyridin-4-ylamino)pent-4-enoic acid?
2-(furo[3,2-c]pyridin-4-ylamino)pent-4-enoic acid has a molecular weight of 232.24 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furo[3,2-c]pyridin-4-ylamino)pent-4-enoic acid is sourced from PubChem (CID 106534958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).