(2S)-2-amino-4-(2-aminopyrimidin-4-yl)butanoic acid

C8H12N4O2 — CID 55250794

IUPAC(2S)-2-amino-4-(2-aminopyrimidin-4-yl)butanoic acid
SMILESNc1nccc(CC[C@H](N)C(=O)O)n1
InChIInChI=1S/C8H12N4O2/c9-6(7(13)14)2-1-5-3-4-11-8(10)12-5/h3-4,6H,1-2,9H2,(H,13,14)(H2,10,11,12)/t6-/m0/s1
InChIKeyRIXVIYNHAZQUJF-LURJTMIESA-N
MW196.21 g/mol
LogP-0.60
Rot. Bonds4

About (2S)-2-amino-4-(2-aminopyrimidin-4-yl)butanoic acid

(2S)-2-amino-4-(2-aminopyrimidin-4-yl)butanoic acid (PubChem CID 55250794) has the molecular formula C8H12N4O2 and a molecular weight of 196.21 g/mol. Its IUPAC name is (2S)-2-amino-4-(2-aminopyrimidin-4-yl)butanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-4-(2-aminopyrimidin-4-yl)butanoic acid
PubChem CID55250794
Molecular FormulaC8H12N4O2
Molecular Weight196.21 g/mol
Exact Mass196.10
IUPAC Name(2S)-2-amino-4-(2-aminopyrimidin-4-yl)butanoic acid
SMILESNc1nccc(CC[C@H](N)C(=O)O)n1
InChIInChI=1S/C8H12N4O2/c9-6(7(13)14)2-1-5-3-4-11-8(10)12-5/h3-4,6H,1-2,9H2,(H,13,14)(H2,10,11,12)/t6-/m0/s1
InChIKeyRIXVIYNHAZQUJF-LURJTMIESA-N
XLogP-0.60
TPSA115.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 5-0.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2S)-2-amino-4-(2-aminopyrimidin-4-yl)butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-(2-aminopyrimidin-4-yl)butanoic acid?
The IUPAC name of (2S)-2-amino-4-(2-aminopyrimidin-4-yl)butanoic acid (CID 55250794) is (2S)-2-amino-4-(2-aminopyrimidin-4-yl)butanoic acid.
What is the SMILES notation for (2S)-2-amino-4-(2-aminopyrimidin-4-yl)butanoic acid?
The canonical SMILES for (2S)-2-amino-4-(2-aminopyrimidin-4-yl)butanoic acid is Nc1nccc(CC[C@H](N)C(=O)O)n1.
What is the InChIKey of (2S)-2-amino-4-(2-aminopyrimidin-4-yl)butanoic acid?
The InChIKey is RIXVIYNHAZQUJF-LURJTMIESA-N. The full InChI is InChI=1S/C8H12N4O2/c9-6(7(13)14)2-1-5-3-4-11-8(10)12-5/h3-4,6H,1-2,9H2,(H,13,14)(H2,10,11,12)/t6-/m0/s1.
What are the key properties of (2S)-2-amino-4-(2-aminopyrimidin-4-yl)butanoic acid?
(2S)-2-amino-4-(2-aminopyrimidin-4-yl)butanoic acid has a molecular weight of 196.21 g/mol, XLogP of -0.60, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-(2-aminopyrimidin-4-yl)butanoic acid is sourced from PubChem (CID 55250794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).