2-(pyridin-3-ylamino)butanoic acid

C9H12N2O2 — CID 90735092

IUPAC2-(pyridin-3-ylamino)butanoic acid
SMILESCCC(Nc1cccnc1)C(=O)O
InChIInChI=1S/C9H12N2O2/c1-2-8(9(12)13)11-7-4-3-5-10-6-7/h3-6,8,11H,2H2,1H3,(H,12,13)
InChIKeyQLHVQNGTRXHKFV-UHFFFAOYSA-N
MW180.21 g/mol
LogP1.36
Rot. Bonds4

About 2-(pyridin-3-ylamino)butanoic acid

2-(pyridin-3-ylamino)butanoic acid (PubChem CID 90735092) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 2-(pyridin-3-ylamino)butanoic acid.

Molecular Properties

Compound Name2-(pyridin-3-ylamino)butanoic acid
PubChem CID90735092
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name2-(pyridin-3-ylamino)butanoic acid
SMILESCCC(Nc1cccnc1)C(=O)O
InChIInChI=1S/C9H12N2O2/c1-2-8(9(12)13)11-7-4-3-5-10-6-7/h3-6,8,11H,2H2,1H3,(H,12,13)
InChIKeyQLHVQNGTRXHKFV-UHFFFAOYSA-N
XLogP1.36
TPSA62.22 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 ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-3-phenyl-2-(pyridin-3-ylamino)propanoic acid;dihydrochloride
CID 141048608
(2S)-2-(pyridin-3-ylamino)propanoic acid
CID 159663521
(2S)-3-methyl-2-(pyridin-3-ylamino)butanoic acid
CID 59166574
4-oxo-2-(propylamino)-4-(pyridin-3-ylamino)butanoic acid
CID 6852100
4-methyl-2-(pyridin-3-ylcarbamoylamino)pentanoic acid
CID 61187819
N-[(3R)-2-methylpentan-3-yl]pyridin-3-amine
CID 67725342
2-(2-pyridin-3-ylethylcarbamoylamino)butanoic acid
CID 61204035
2-(1H-pyrazol-4-ylamino)butanoic acid
CID 115352398
3-methyl-N-pyridin-3-ylpentanamide
CID 142960765
2-[4-(pyrazol-1-ylmethyl)anilino]butanoic acid
CID 115353094
2-[(1-ethylpyrazol-4-yl)amino]butanoic acid
CID 115352400
2-(3-ethynylanilino)butanoic acid
CID 64669723

Frequently Asked Questions

What is the IUPAC name of 2-(pyridin-3-ylamino)butanoic acid?
The IUPAC name of 2-(pyridin-3-ylamino)butanoic acid (CID 90735092) is 2-(pyridin-3-ylamino)butanoic acid.
What is the SMILES notation for 2-(pyridin-3-ylamino)butanoic acid?
The canonical SMILES for 2-(pyridin-3-ylamino)butanoic acid is CCC(Nc1cccnc1)C(=O)O.
What is the InChIKey of 2-(pyridin-3-ylamino)butanoic acid?
The InChIKey is QLHVQNGTRXHKFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-2-8(9(12)13)11-7-4-3-5-10-6-7/h3-6,8,11H,2H2,1H3,(H,12,13).
What are the key properties of 2-(pyridin-3-ylamino)butanoic acid?
2-(pyridin-3-ylamino)butanoic acid has a molecular weight of 180.21 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyridin-3-ylamino)butanoic acid is sourced from PubChem (CID 90735092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).