4-amino-4-pyridin-2-ylbutanoic acid

C9H12N2O2 — CID 55292382

IUPAC4-amino-4-pyridin-2-ylbutanoic acid
SMILESNC(CCC(=O)O)c1ccccn1
InChIInChI=1S/C9H12N2O2/c10-7(4-5-9(12)13)8-3-1-2-6-11-8/h1-3,6-7H,4-5,10H2,(H,12,13)
InChIKeyZDBOXSXZYTVHNG-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.95
Rot. Bonds4

About 4-amino-4-pyridin-2-ylbutanoic acid

4-amino-4-pyridin-2-ylbutanoic acid (PubChem CID 55292382) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 4-amino-4-pyridin-2-ylbutanoic acid.

Molecular Properties

Compound Name4-amino-4-pyridin-2-ylbutanoic acid
PubChem CID55292382
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name4-amino-4-pyridin-2-ylbutanoic acid
SMILESNC(CCC(=O)O)c1ccccn1
InChIInChI=1S/C9H12N2O2/c10-7(4-5-9(12)13)8-3-1-2-6-11-8/h1-3,6-7H,4-5,10H2,(H,12,13)
InChIKeyZDBOXSXZYTVHNG-UHFFFAOYSA-N
XLogP0.95
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-4-phenyl-4-pyridin-2-ylbutanoic acid
CID 95562119
5-oxo-4-pyridin-2-yl-5-sulfanylpentanoic acid;hydrochloride
CID 142115465
(2S)-2-amino-2-pyridin-2-ylethanol
CID 55278064
(4R)-4-amino-4-(2-fluoro-3-pyridinyl)butanoic acid
CID 55265569
(2R)-2-amino-2-pyridin-2-ylethanol;hydrochloride
CID 86306039
4-amino-4-pyridin-2-ylbutanenitrile
CID 116940079
5-(tert-butylamino)-5-oxo-4-pyridin-2-ylpentanoic acid
CID 112517228
3-[[(1R)-1-pyridin-2-ylethyl]amino]propanoic acid
CID 81406743
oxalic acid;1-pyridin-2-ylethanamine
CID 45156268
4-amino-4-(1,3-thiazol-4-yl)butanoic acid
CID 82602298
2-aminopentanedioic acid;2-ethylpyridine
CID 174937923
(1S)-1-pyridin-2-ylpropan-1-amine;dihydrochloride
CID 122236499

Frequently Asked Questions

What is the IUPAC name of 4-amino-4-pyridin-2-ylbutanoic acid?
The IUPAC name of 4-amino-4-pyridin-2-ylbutanoic acid (CID 55292382) is 4-amino-4-pyridin-2-ylbutanoic acid.
What is the SMILES notation for 4-amino-4-pyridin-2-ylbutanoic acid?
The canonical SMILES for 4-amino-4-pyridin-2-ylbutanoic acid is NC(CCC(=O)O)c1ccccn1.
What is the InChIKey of 4-amino-4-pyridin-2-ylbutanoic acid?
The InChIKey is ZDBOXSXZYTVHNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c10-7(4-5-9(12)13)8-3-1-2-6-11-8/h1-3,6-7H,4-5,10H2,(H,12,13).
What are the key properties of 4-amino-4-pyridin-2-ylbutanoic acid?
4-amino-4-pyridin-2-ylbutanoic acid has a molecular weight of 180.21 g/mol, XLogP of 0.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-4-pyridin-2-ylbutanoic acid is sourced from PubChem (CID 55292382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).