(2S)-2-amino-3-(2-cyanoimidazo[1,2-a]pyrimidin-6-yl)propanoic acid

C10H9N5O2 — CID 146315157

IUPAC(2S)-2-amino-3-(2-cyanoimidazo[1,2-a]pyrimidin-6-yl)propanoic acid
SMILESN#Cc1cn2cc(C[C@H](N)C(=O)O)cnc2n1
InChIInChI=1S/C10H9N5O2/c11-2-7-5-15-4-6(1-8(12)9(16)17)3-13-10(15)14-7/h3-5,8H,1,12H2,(H,16,17)/t8-/m0/s1
InChIKeyZBXRTXNBVRODLI-QMMMGPOBSA-N
MW231.22 g/mol
LogP-0.44
Rot. Bonds3

About (2S)-2-amino-3-(2-cyanoimidazo[1,2-a]pyrimidin-6-yl)propanoic acid

(2S)-2-amino-3-(2-cyanoimidazo[1,2-a]pyrimidin-6-yl)propanoic acid (PubChem CID 146315157) has the molecular formula C10H9N5O2 and a molecular weight of 231.22 g/mol. Its IUPAC name is (2S)-2-amino-3-(2-cyanoimidazo[1,2-a]pyrimidin-6-yl)propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-(2-cyanoimidazo[1,2-a]pyrimidin-6-yl)propanoic acid
PubChem CID146315157
Molecular FormulaC10H9N5O2
Molecular Weight231.22 g/mol
Exact Mass231.08
IUPAC Name(2S)-2-amino-3-(2-cyanoimidazo[1,2-a]pyrimidin-6-yl)propanoic acid
SMILESN#Cc1cn2cc(C[C@H](N)C(=O)O)cnc2n1
InChIInChI=1S/C10H9N5O2/c11-2-7-5-15-4-6(1-8(12)9(16)17)3-13-10(15)14-7/h3-5,8H,1,12H2,(H,16,17)/t8-/m0/s1
InChIKeyZBXRTXNBVRODLI-QMMMGPOBSA-N
XLogP-0.44
TPSA117.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.22
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(2-cyanoimidazo[1,2-a]pyrimidin-6-yl)propanoic acid?
The IUPAC name of (2S)-2-amino-3-(2-cyanoimidazo[1,2-a]pyrimidin-6-yl)propanoic acid (CID 146315157) is (2S)-2-amino-3-(2-cyanoimidazo[1,2-a]pyrimidin-6-yl)propanoic acid.
What is the SMILES notation for (2S)-2-amino-3-(2-cyanoimidazo[1,2-a]pyrimidin-6-yl)propanoic acid?
The canonical SMILES for (2S)-2-amino-3-(2-cyanoimidazo[1,2-a]pyrimidin-6-yl)propanoic acid is N#Cc1cn2cc(C[C@H](N)C(=O)O)cnc2n1.
What is the InChIKey of (2S)-2-amino-3-(2-cyanoimidazo[1,2-a]pyrimidin-6-yl)propanoic acid?
The InChIKey is ZBXRTXNBVRODLI-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H9N5O2/c11-2-7-5-15-4-6(1-8(12)9(16)17)3-13-10(15)14-7/h3-5,8H,1,12H2,(H,16,17)/t8-/m0/s1.
What are the key properties of (2S)-2-amino-3-(2-cyanoimidazo[1,2-a]pyrimidin-6-yl)propanoic acid?
(2S)-2-amino-3-(2-cyanoimidazo[1,2-a]pyrimidin-6-yl)propanoic acid has a molecular weight of 231.22 g/mol, XLogP of -0.44, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(2-cyanoimidazo[1,2-a]pyrimidin-6-yl)propanoic acid is sourced from PubChem (CID 146315157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).