2-(5-amino-2-pyridinyl)butanoic acid

C9H12N2O2 — CID 67099005

IUPAC2-(5-amino-2-pyridinyl)butanoic acid
SMILESCCC(C(=O)O)c1ccc(N)cn1
InChIInChI=1S/C9H12N2O2/c1-2-7(9(12)13)8-4-3-6(10)5-11-8/h3-5,7H,2,10H2,1H3,(H,12,13)
InChIKeyRNYSOMNJJBYZNY-UHFFFAOYSA-N
MW180.21 g/mol
LogP1.24
Rot. Bonds3

About 2-(5-amino-2-pyridinyl)butanoic acid

2-(5-amino-2-pyridinyl)butanoic acid (PubChem CID 67099005) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 2-(5-amino-2-pyridinyl)butanoic acid.

Molecular Properties

Compound Name2-(5-amino-2-pyridinyl)butanoic acid
PubChem CID67099005
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name2-(5-amino-2-pyridinyl)butanoic acid
SMILESCCC(C(=O)O)c1ccc(N)cn1
InChIInChI=1S/C9H12N2O2/c1-2-7(9(12)13)8-4-3-6(10)5-11-8/h3-5,7H,2,10H2,1H3,(H,12,13)
InChIKeyRNYSOMNJJBYZNY-UHFFFAOYSA-N
XLogP1.24
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-methylpyrazin-2-yl)butanoic acid
CID 82409079
1-(5-amino-2-pyridinyl)-2-ethylbutan-1-one
CID 116605325
2-[(5-amino-2-pyridinyl)sulfanyl]butanoic acid
CID 61318641
2-[4-(5-amino-2-pyridinyl)piperazin-1-yl]butanoic acid
CID 64662975
6-[(1S)-1-aminobutyl]pyridin-3-amine
CID 130738853
2-(6-amino-2-methylpyrimidin-4-yl)butanoic acid
CID 83857275
methyl 4-(5-amino-2-pyridinyl)-3,4-dihydroxybutanoate
CID 171895049
methyl 3-(5-amino-2-pyridinyl)-2,3-dihydroxypropanoate
CID 171863534
2-[(5-amino-2-pyridinyl)sulfanyl]pentanoic acid
CID 83038185
1-amino-1-(5-amino-2-pyridinyl)propan-2-ol
CID 55292549
5-amino-N-butan-2-yl-N-methylpyridine-2-carboxamide
CID 81317064
6-[(1R)-1-amino-2-methylpropyl]pyridin-3-amine
CID 55218698

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-2-pyridinyl)butanoic acid?
The IUPAC name of 2-(5-amino-2-pyridinyl)butanoic acid (CID 67099005) is 2-(5-amino-2-pyridinyl)butanoic acid.
What is the SMILES notation for 2-(5-amino-2-pyridinyl)butanoic acid?
The canonical SMILES for 2-(5-amino-2-pyridinyl)butanoic acid is CCC(C(=O)O)c1ccc(N)cn1.
What is the InChIKey of 2-(5-amino-2-pyridinyl)butanoic acid?
The InChIKey is RNYSOMNJJBYZNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-2-7(9(12)13)8-4-3-6(10)5-11-8/h3-5,7H,2,10H2,1H3,(H,12,13).
What are the key properties of 2-(5-amino-2-pyridinyl)butanoic acid?
2-(5-amino-2-pyridinyl)butanoic acid has a molecular weight of 180.21 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-2-pyridinyl)butanoic acid is sourced from PubChem (CID 67099005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).