(2S)-2-amino-3-(4-amino-2-methylpyrimidin-5-yl)propanoic acid

C8H12N4O2 — CID 26792673

IUPAC(2S)-2-amino-3-(4-amino-2-methylpyrimidin-5-yl)propanoic acid
SMILESCc1ncc(C[C@H](N)C(=O)O)c(N)n1
InChIInChI=1S/C8H12N4O2/c1-4-11-3-5(7(10)12-4)2-6(9)8(13)14/h3,6H,2,9H2,1H3,(H,13,14)(H2,10,11,12)/t6-/m0/s1
InChIKeyJMASZHZPDWMWDF-LURJTMIESA-N
MW196.21 g/mol
LogP-0.68
Rot. Bonds3

About (2S)-2-amino-3-(4-amino-2-methylpyrimidin-5-yl)propanoic acid

(2S)-2-amino-3-(4-amino-2-methylpyrimidin-5-yl)propanoic acid (PubChem CID 26792673) has the molecular formula C8H12N4O2 and a molecular weight of 196.21 g/mol. Its IUPAC name is (2S)-2-amino-3-(4-amino-2-methylpyrimidin-5-yl)propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-(4-amino-2-methylpyrimidin-5-yl)propanoic acid
PubChem CID26792673
Molecular FormulaC8H12N4O2
Molecular Weight196.21 g/mol
Exact Mass196.10
IUPAC Name(2S)-2-amino-3-(4-amino-2-methylpyrimidin-5-yl)propanoic acid
SMILESCc1ncc(C[C@H](N)C(=O)O)c(N)n1
InChIInChI=1S/C8H12N4O2/c1-4-11-3-5(7(10)12-4)2-6(9)8(13)14/h3,6H,2,9H2,1H3,(H,13,14)(H2,10,11,12)/t6-/m0/s1
InChIKeyJMASZHZPDWMWDF-LURJTMIESA-N
XLogP-0.68
TPSA115.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 5-0.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(4-amino-2-methylpyrimidin-5-yl)propanoic acid?
The IUPAC name of (2S)-2-amino-3-(4-amino-2-methylpyrimidin-5-yl)propanoic acid (CID 26792673) is (2S)-2-amino-3-(4-amino-2-methylpyrimidin-5-yl)propanoic acid.
What is the SMILES notation for (2S)-2-amino-3-(4-amino-2-methylpyrimidin-5-yl)propanoic acid?
The canonical SMILES for (2S)-2-amino-3-(4-amino-2-methylpyrimidin-5-yl)propanoic acid is Cc1ncc(C[C@H](N)C(=O)O)c(N)n1.
What is the InChIKey of (2S)-2-amino-3-(4-amino-2-methylpyrimidin-5-yl)propanoic acid?
The InChIKey is JMASZHZPDWMWDF-LURJTMIESA-N. The full InChI is InChI=1S/C8H12N4O2/c1-4-11-3-5(7(10)12-4)2-6(9)8(13)14/h3,6H,2,9H2,1H3,(H,13,14)(H2,10,11,12)/t6-/m0/s1.
What are the key properties of (2S)-2-amino-3-(4-amino-2-methylpyrimidin-5-yl)propanoic acid?
(2S)-2-amino-3-(4-amino-2-methylpyrimidin-5-yl)propanoic acid has a molecular weight of 196.21 g/mol, XLogP of -0.68, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(4-amino-2-methylpyrimidin-5-yl)propanoic acid is sourced from PubChem (CID 26792673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).