(2S)-2-amino-3-pyrazin-2-ylpropanoic acid;hydrochloride

C7H10ClN3O2 — CID 178184520

IUPAC(2S)-2-amino-3-pyrazin-2-ylpropanoic acid;hydrochloride
SMILESCl.N[C@@H](Cc1cnccn1)C(=O)O
InChIInChI=1S/C7H9N3O2.ClH/c8-6(7(11)12)3-5-4-9-1-2-10-5;/h1-2,4,6H,3,8H2,(H,11,12);1H/t6-;/m0./s1
InChIKeyGRPAZAIKYSYICX-RGMNGODLSA-N
MW203.63 g/mol
LogP-0.15
Rot. Bonds3

About (2S)-2-amino-3-pyrazin-2-ylpropanoic acid;hydrochloride

(2S)-2-amino-3-pyrazin-2-ylpropanoic acid;hydrochloride (PubChem CID 178184520) has the molecular formula C7H10ClN3O2 and a molecular weight of 203.63 g/mol. Its IUPAC name is (2S)-2-amino-3-pyrazin-2-ylpropanoic acid;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-3-pyrazin-2-ylpropanoic acid;hydrochloride
PubChem CID178184520
Molecular FormulaC7H10ClN3O2
Molecular Weight203.63 g/mol
Exact Mass203.05
IUPAC Name(2S)-2-amino-3-pyrazin-2-ylpropanoic acid;hydrochloride
SMILESCl.N[C@@H](Cc1cnccn1)C(=O)O
InChIInChI=1S/C7H9N3O2.ClH/c8-6(7(11)12)3-5-4-9-1-2-10-5;/h1-2,4,6H,3,8H2,(H,11,12);1H/t6-;/m0./s1
InChIKeyGRPAZAIKYSYICX-RGMNGODLSA-N
XLogP-0.15
TPSA89.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.63
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-3-pyridin-2-ylpropanoic acid;hydrochloride
CID 46705394
2-amino-3-(1,2,4-triazin-6-yl)propanoic acid
CID 83827024
(2S)-2-amino-3-pyridin-2-ylpropanoic acid;(2S)-2-amino-3-pyridin-3-ylpropanoic acid
CID 69091689
2-amino-3-(4-methyl-2-pyridinyl)propanoic acid
CID 55267483
2-amino-3-[4-(hydroxymethyl)-2-pyridinyl]propanoic acid
CID 55268385
(2R)-2-amino-3-(4-methyl-2-pyridinyl)propanoic acid
CID 55293351
2-pyrazin-2-ylacetic acid
CID 19797048
(2S)-2-amino-4-(pyrazine-2-carbonylamino)butanoic acid
CID 67328816
(2S)-2-amino-3-(4-cyano-3-pyridinyl)propanoic acid
CID 130672000
2-amino-2-methyl-3-pyrazin-2-ylpropanoic acid
CID 130039613
1,4-di(pyrazin-2-yl)butane-2,3-dione
CID 57316761
2-ethyl-3-hydroxy-2-methyl-4-pyrazin-2-ylbutanoic acid
CID 70578456

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-pyrazin-2-ylpropanoic acid;hydrochloride?
The IUPAC name of (2S)-2-amino-3-pyrazin-2-ylpropanoic acid;hydrochloride (CID 178184520) is (2S)-2-amino-3-pyrazin-2-ylpropanoic acid;hydrochloride.
What is the SMILES notation for (2S)-2-amino-3-pyrazin-2-ylpropanoic acid;hydrochloride?
The canonical SMILES for (2S)-2-amino-3-pyrazin-2-ylpropanoic acid;hydrochloride is Cl.N[C@@H](Cc1cnccn1)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-pyrazin-2-ylpropanoic acid;hydrochloride?
The InChIKey is GRPAZAIKYSYICX-RGMNGODLSA-N. The full InChI is InChI=1S/C7H9N3O2.ClH/c8-6(7(11)12)3-5-4-9-1-2-10-5;/h1-2,4,6H,3,8H2,(H,11,12);1H/t6-;/m0./s1.
What are the key properties of (2S)-2-amino-3-pyrazin-2-ylpropanoic acid;hydrochloride?
(2S)-2-amino-3-pyrazin-2-ylpropanoic acid;hydrochloride has a molecular weight of 203.63 g/mol, XLogP of -0.15, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-pyrazin-2-ylpropanoic acid;hydrochloride is sourced from PubChem (CID 178184520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).