4-(3-amino-4-pyridinyl)but-3-enoic acid

C9H10N2O2 — CID 170483035

IUPAC4-(3-amino-4-pyridinyl)but-3-enoic acid
SMILESNc1cnccc1C=CCC(=O)O
InChIInChI=1S/C9H10N2O2/c10-8-6-11-5-4-7(8)2-1-3-9(12)13/h1-2,4-6H,3,10H2,(H,12,13)
InChIKeyDNFIQDMVUFRDSQ-UHFFFAOYSA-N
MW178.19 g/mol
LogP1.15
Rot. Bonds3

About 4-(3-amino-4-pyridinyl)but-3-enoic acid

4-(3-amino-4-pyridinyl)but-3-enoic acid (PubChem CID 170483035) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is 4-(3-amino-4-pyridinyl)but-3-enoic acid.

Molecular Properties

Compound Name4-(3-amino-4-pyridinyl)but-3-enoic acid
PubChem CID170483035
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC Name4-(3-amino-4-pyridinyl)but-3-enoic acid
SMILESNc1cnccc1C=CCC(=O)O
InChIInChI=1S/C9H10N2O2/c10-8-6-11-5-4-7(8)2-1-3-9(12)13/h1-2,4-6H,3,10H2,(H,12,13)
InChIKeyDNFIQDMVUFRDSQ-UHFFFAOYSA-N
XLogP1.15
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-amino-4-pyridinyl)prop-2-en-1-ol
CID 169452853
(E)-4-(2-aminophenyl)but-3-enoic acid
CID 50852404
4-[4-(trifluoromethyl)-3-pyridinyl]but-3-enoic acid
CID 170483925
4-(3-amino-4-pyridinyl)but-3-enenitrile
CID 170799112
3-amino-4-(3-carboxyprop-1-enyl)benzoic acid
CID 170483977
4-pyridin-3-ylbut-3-enoic acid
CID 439
(E)-4-(2-pyridin-4-ylphenyl)but-3-enoic acid
CID 19926633
4-(2-amino-5-chlorophenyl)but-3-enoic acid
CID 91346863
4-(6-oxo-1H-pyrimidin-5-yl)but-3-enoic acid
CID 170483047
4-[2-amino-5-(hydroxymethyl)phenyl]but-3-enoic acid
CID 69165191
4-(5-amino-1-methylpyrazol-4-yl)but-3-enoic acid
CID 170483094
4-(3-amino-6-chloropyridazin-4-yl)but-3-enoic acid
CID 170483355

Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-4-pyridinyl)but-3-enoic acid?
The IUPAC name of 4-(3-amino-4-pyridinyl)but-3-enoic acid (CID 170483035) is 4-(3-amino-4-pyridinyl)but-3-enoic acid.
What is the SMILES notation for 4-(3-amino-4-pyridinyl)but-3-enoic acid?
The canonical SMILES for 4-(3-amino-4-pyridinyl)but-3-enoic acid is Nc1cnccc1C=CCC(=O)O.
What is the InChIKey of 4-(3-amino-4-pyridinyl)but-3-enoic acid?
The InChIKey is DNFIQDMVUFRDSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2/c10-8-6-11-5-4-7(8)2-1-3-9(12)13/h1-2,4-6H,3,10H2,(H,12,13).
What are the key properties of 4-(3-amino-4-pyridinyl)but-3-enoic acid?
4-(3-amino-4-pyridinyl)but-3-enoic acid has a molecular weight of 178.19 g/mol, XLogP of 1.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-4-pyridinyl)but-3-enoic acid is sourced from PubChem (CID 170483035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).