(2S)-2-amino-2-(6-amino-2-pyridinyl)propanoic acid

C8H11N3O2 — CID 55274047

IUPAC(2S)-2-amino-2-(6-amino-2-pyridinyl)propanoic acid
SMILESC[C@@](N)(C(=O)O)c1cccc(N)n1
InChIInChI=1S/C8H11N3O2/c1-8(10,7(12)13)5-3-2-4-6(9)11-5/h2-4H,10H2,1H3,(H2,9,11)(H,12,13)/t8-/m0/s1
InChIKeyIKXPDRDRQBFXJD-QMMMGPOBSA-N
MW181.19 g/mol
LogP-0.08
Rot. Bonds2

About (2S)-2-amino-2-(6-amino-2-pyridinyl)propanoic acid

(2S)-2-amino-2-(6-amino-2-pyridinyl)propanoic acid (PubChem CID 55274047) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is (2S)-2-amino-2-(6-amino-2-pyridinyl)propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-2-(6-amino-2-pyridinyl)propanoic acid
PubChem CID55274047
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Name(2S)-2-amino-2-(6-amino-2-pyridinyl)propanoic acid
SMILESC[C@@](N)(C(=O)O)c1cccc(N)n1
InChIInChI=1S/C8H11N3O2/c1-8(10,7(12)13)5-3-2-4-6(9)11-5/h2-4H,10H2,1H3,(H2,9,11)(H,12,13)/t8-/m0/s1
InChIKeyIKXPDRDRQBFXJD-QMMMGPOBSA-N
XLogP-0.08
TPSA102.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 5-0.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-(6-amino-2-pyridinyl)propanoic acid?
The IUPAC name of (2S)-2-amino-2-(6-amino-2-pyridinyl)propanoic acid (CID 55274047) is (2S)-2-amino-2-(6-amino-2-pyridinyl)propanoic acid.
What is the SMILES notation for (2S)-2-amino-2-(6-amino-2-pyridinyl)propanoic acid?
The canonical SMILES for (2S)-2-amino-2-(6-amino-2-pyridinyl)propanoic acid is C[C@@](N)(C(=O)O)c1cccc(N)n1.
What is the InChIKey of (2S)-2-amino-2-(6-amino-2-pyridinyl)propanoic acid?
The InChIKey is IKXPDRDRQBFXJD-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H11N3O2/c1-8(10,7(12)13)5-3-2-4-6(9)11-5/h2-4H,10H2,1H3,(H2,9,11)(H,12,13)/t8-/m0/s1.
What are the key properties of (2S)-2-amino-2-(6-amino-2-pyridinyl)propanoic acid?
(2S)-2-amino-2-(6-amino-2-pyridinyl)propanoic acid has a molecular weight of 181.19 g/mol, XLogP of -0.08, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-(6-amino-2-pyridinyl)propanoic acid is sourced from PubChem (CID 55274047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).