2-[2-(aminomethyl)-2H-pyridin-1-yl]acetic acid

C8H12N2O2 — CID 21331283

IUPAC2-[2-(aminomethyl)-2H-pyridin-1-yl]acetic acid
SMILESNCC1C=CC=CN1CC(=O)O
InChIInChI=1S/C8H12N2O2/c9-5-7-3-1-2-4-10(7)6-8(11)12/h1-4,7H,5-6,9H2,(H,11,12)
InChIKeyXTIMXHTWIAKXSC-UHFFFAOYSA-N
MW168.20 g/mol
LogP-0.22
Rot. Bonds3

About 2-[2-(aminomethyl)-2H-pyridin-1-yl]acetic acid

2-[2-(aminomethyl)-2H-pyridin-1-yl]acetic acid (PubChem CID 21331283) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-2H-pyridin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(aminomethyl)-2H-pyridin-1-yl]acetic acid
PubChem CID21331283
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name2-[2-(aminomethyl)-2H-pyridin-1-yl]acetic acid
SMILESNCC1C=CC=CN1CC(=O)O
InChIInChI=1S/C8H12N2O2/c9-5-7-3-1-2-4-10(7)6-8(11)12/h1-4,7H,5-6,9H2,(H,11,12)
InChIKeyXTIMXHTWIAKXSC-UHFFFAOYSA-N
XLogP-0.22
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-2H-pyridin-1-yl]acetic acid?
The IUPAC name of 2-[2-(aminomethyl)-2H-pyridin-1-yl]acetic acid (CID 21331283) is 2-[2-(aminomethyl)-2H-pyridin-1-yl]acetic acid.
What is the SMILES notation for 2-[2-(aminomethyl)-2H-pyridin-1-yl]acetic acid?
The canonical SMILES for 2-[2-(aminomethyl)-2H-pyridin-1-yl]acetic acid is NCC1C=CC=CN1CC(=O)O.
What is the InChIKey of 2-[2-(aminomethyl)-2H-pyridin-1-yl]acetic acid?
The InChIKey is XTIMXHTWIAKXSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c9-5-7-3-1-2-4-10(7)6-8(11)12/h1-4,7H,5-6,9H2,(H,11,12).
What are the key properties of 2-[2-(aminomethyl)-2H-pyridin-1-yl]acetic acid?
2-[2-(aminomethyl)-2H-pyridin-1-yl]acetic acid has a molecular weight of 168.20 g/mol, XLogP of -0.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-2H-pyridin-1-yl]acetic acid is sourced from PubChem (CID 21331283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).