2-amino-3-pyrimidin-2-ylpropanoic acid;dihydrochloride

C7H11Cl2N3O2 — CID 122156706

IUPAC2-amino-3-pyrimidin-2-ylpropanoic acid;dihydrochloride
SMILESCl.Cl.NC(Cc1ncccn1)C(=O)O
InChIInChI=1S/C7H9N3O2.2ClH/c8-5(7(11)12)4-6-9-2-1-3-10-6;;/h1-3,5H,4,8H2,(H,11,12);2*1H
InChIKeyONAKKNMSGAQCSK-UHFFFAOYSA-N
MW240.09 g/mol
LogP0.27
Rot. Bonds3

About 2-amino-3-pyrimidin-2-ylpropanoic acid;dihydrochloride

2-amino-3-pyrimidin-2-ylpropanoic acid;dihydrochloride (PubChem CID 122156706) has the molecular formula C7H11Cl2N3O2 and a molecular weight of 240.09 g/mol. Its IUPAC name is 2-amino-3-pyrimidin-2-ylpropanoic acid;dihydrochloride.

Molecular Properties

Compound Name2-amino-3-pyrimidin-2-ylpropanoic acid;dihydrochloride
PubChem CID122156706
Molecular FormulaC7H11Cl2N3O2
Molecular Weight240.09 g/mol
Exact Mass239.02
IUPAC Name2-amino-3-pyrimidin-2-ylpropanoic acid;dihydrochloride
SMILESCl.Cl.NC(Cc1ncccn1)C(=O)O
InChIInChI=1S/C7H9N3O2.2ClH/c8-5(7(11)12)4-6-9-2-1-3-10-6;;/h1-3,5H,4,8H2,(H,11,12);2*1H
InChIKeyONAKKNMSGAQCSK-UHFFFAOYSA-N
XLogP0.27
TPSA89.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.09
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(Pyrimidin-2-yl)amino]propanoic acid
CID 10511282
(s)-2-Amino-3-(pyrimidin-2-yl)propanoic acid
CID 3246327
3-(Pyrimidin-2-yl)propanoic acid
CID 5152885
2-{[(Tert-butoxy)carbonyl]amino}-3-(pyrimidin-2-yl)propanoic acid
CID 64146036
(R)-2-((tert-Butoxycarbonyl)amino)-3-(pyrimidin-2-yl)propanoic acid
CID 124486102
Ethyl 2-amino-3-(pyrimidin-2-yl)propanoate dihydrochloride
CID 137935699
2-Amino-3-pyrimidin-2-ylpropanoic acid;hydrochloride
CID 54606282
2-(4-Aminopyrimidin-2-yl)acetic acid
CID 70518030
2-Amino-3-(pyrimidin-2-yl)propanoic acid
CID 417395
4-(Pyrimidin-2-ylamino)butanoic acid
CID 16228606
Pyrimidinylornithine
CID 53965494
2-Methyl-3-(pyrimidin-2-YL)propanoic acid
CID 42614418

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-pyrimidin-2-ylpropanoic acid;dihydrochloride?
The IUPAC name of 2-amino-3-pyrimidin-2-ylpropanoic acid;dihydrochloride (CID 122156706) is 2-amino-3-pyrimidin-2-ylpropanoic acid;dihydrochloride.
What is the SMILES notation for 2-amino-3-pyrimidin-2-ylpropanoic acid;dihydrochloride?
The canonical SMILES for 2-amino-3-pyrimidin-2-ylpropanoic acid;dihydrochloride is Cl.Cl.NC(Cc1ncccn1)C(=O)O.
What is the InChIKey of 2-amino-3-pyrimidin-2-ylpropanoic acid;dihydrochloride?
The InChIKey is ONAKKNMSGAQCSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O2.2ClH/c8-5(7(11)12)4-6-9-2-1-3-10-6;;/h1-3,5H,4,8H2,(H,11,12);2*1H.
What are the key properties of 2-amino-3-pyrimidin-2-ylpropanoic acid;dihydrochloride?
2-amino-3-pyrimidin-2-ylpropanoic acid;dihydrochloride has a molecular weight of 240.09 g/mol, XLogP of 0.27, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-pyrimidin-2-ylpropanoic acid;dihydrochloride is sourced from PubChem (CID 122156706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).