2-amino-2-(3-amino-4-pyridinyl)acetic acid

C7H9N3O2 — CID 55292640

IUPAC2-amino-2-(3-amino-4-pyridinyl)acetic acid
SMILESNc1cnccc1C(N)C(=O)O
InChIInChI=1S/C7H9N3O2/c8-5-3-10-2-1-4(5)6(9)7(11)12/h1-3,6H,8-9H2,(H,11,12)
InChIKeyCAECKDHOJBUXGY-UHFFFAOYSA-N
MW167.17 g/mol
LogP-0.25
Rot. Bonds2

About 2-amino-2-(3-amino-4-pyridinyl)acetic acid

2-amino-2-(3-amino-4-pyridinyl)acetic acid (PubChem CID 55292640) has the molecular formula C7H9N3O2 and a molecular weight of 167.17 g/mol. Its IUPAC name is 2-amino-2-(3-amino-4-pyridinyl)acetic acid.

Molecular Properties

Compound Name2-amino-2-(3-amino-4-pyridinyl)acetic acid
PubChem CID55292640
Molecular FormulaC7H9N3O2
Molecular Weight167.17 g/mol
Exact Mass167.07
IUPAC Name2-amino-2-(3-amino-4-pyridinyl)acetic acid
SMILESNc1cnccc1C(N)C(=O)O
InChIInChI=1S/C7H9N3O2/c8-5-3-10-2-1-4(5)6(9)7(11)12/h1-3,6H,8-9H2,(H,11,12)
InChIKeyCAECKDHOJBUXGY-UHFFFAOYSA-N
XLogP-0.25
TPSA102.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 5-0.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-Pyridineacetic acid hydrochloride
CID 81097
L-4-Pyridylalanine
CID 7009701
3-(3-Pyridyl)alanine
CID 152953
4-Pyridineacetic acid
CID 34228
3-(3-Pyridyl)-D-alanine
CID 1268144
2-Amino-2-(pyridin-3-yl)acetic acid
CID 5057699
beta-(3-Pyridyl)-DL-alanine
CID 314100
4-Pyridylalanine, DL-
CID 4210283
(alphaR)-alpha-Amino-4-pyridinepropanoic acid
CID 7009693
3-Methyl-5-oxo-5-(pyridin-3-ylamino)pentanoic acid
CID 3591670
2-(Aminomethyl)pyridine-4-carboxylic acid
CID 22099232
2-Pyridin-1-ium-4-ylacetic acid
CID 23366000

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(3-amino-4-pyridinyl)acetic acid?
The IUPAC name of 2-amino-2-(3-amino-4-pyridinyl)acetic acid (CID 55292640) is 2-amino-2-(3-amino-4-pyridinyl)acetic acid.
What is the SMILES notation for 2-amino-2-(3-amino-4-pyridinyl)acetic acid?
The canonical SMILES for 2-amino-2-(3-amino-4-pyridinyl)acetic acid is Nc1cnccc1C(N)C(=O)O.
What is the InChIKey of 2-amino-2-(3-amino-4-pyridinyl)acetic acid?
The InChIKey is CAECKDHOJBUXGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O2/c8-5-3-10-2-1-4(5)6(9)7(11)12/h1-3,6H,8-9H2,(H,11,12).
What are the key properties of 2-amino-2-(3-amino-4-pyridinyl)acetic acid?
2-amino-2-(3-amino-4-pyridinyl)acetic acid has a molecular weight of 167.17 g/mol, XLogP of -0.25, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(3-amino-4-pyridinyl)acetic acid is sourced from PubChem (CID 55292640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).