2-(2-amino-1,2-dihydropyridin-6-yl)acetic acid

C7H10N2O2 — CID 86340944

IUPAC2-(2-amino-1,2-dihydropyridin-6-yl)acetic acid
SMILESNC1C=CC=C(CC(=O)O)N1
InChIInChI=1S/C7H10N2O2/c8-6-3-1-2-5(9-6)4-7(10)11/h1-3,6,9H,4,8H2,(H,10,11)
InChIKeyUUQSVJLFMVEDRJ-UHFFFAOYSA-N
MW154.17 g/mol
LogP-0.21
Rot. Bonds2

About 2-(2-amino-1,2-dihydropyridin-6-yl)acetic acid

2-(2-amino-1,2-dihydropyridin-6-yl)acetic acid (PubChem CID 86340944) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is 2-(2-amino-1,2-dihydropyridin-6-yl)acetic acid.

Molecular Properties

Compound Name2-(2-amino-1,2-dihydropyridin-6-yl)acetic acid
PubChem CID86340944
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Name2-(2-amino-1,2-dihydropyridin-6-yl)acetic acid
SMILESNC1C=CC=C(CC(=O)O)N1
InChIInChI=1S/C7H10N2O2/c8-6-3-1-2-5(9-6)4-7(10)11/h1-3,6,9H,4,8H2,(H,10,11)
InChIKeyUUQSVJLFMVEDRJ-UHFFFAOYSA-N
XLogP-0.21
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 5-0.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-1,2-dihydropyridin-6-yl)acetic acid?
The IUPAC name of 2-(2-amino-1,2-dihydropyridin-6-yl)acetic acid (CID 86340944) is 2-(2-amino-1,2-dihydropyridin-6-yl)acetic acid.
What is the SMILES notation for 2-(2-amino-1,2-dihydropyridin-6-yl)acetic acid?
The canonical SMILES for 2-(2-amino-1,2-dihydropyridin-6-yl)acetic acid is NC1C=CC=C(CC(=O)O)N1.
What is the InChIKey of 2-(2-amino-1,2-dihydropyridin-6-yl)acetic acid?
The InChIKey is UUQSVJLFMVEDRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2/c8-6-3-1-2-5(9-6)4-7(10)11/h1-3,6,9H,4,8H2,(H,10,11).
What are the key properties of 2-(2-amino-1,2-dihydropyridin-6-yl)acetic acid?
2-(2-amino-1,2-dihydropyridin-6-yl)acetic acid has a molecular weight of 154.17 g/mol, XLogP of -0.21, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-1,2-dihydropyridin-6-yl)acetic acid is sourced from PubChem (CID 86340944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).