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

C7H10ClN3O2 — CID 54606282

IUPAC2-amino-3-pyrimidin-2-ylpropanoic acid;hydrochloride
SMILESCl.NC(Cc1ncccn1)C(=O)O
InChIInChI=1S/C7H9N3O2.ClH/c8-5(7(11)12)4-6-9-2-1-3-10-6;/h1-3,5H,4,8H2,(H,11,12);1H
InChIKeyAXHDFXXSOYSLBA-UHFFFAOYSA-N
MW203.63 g/mol
LogP-0.15
Rot. Bonds3

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

2-amino-3-pyrimidin-2-ylpropanoic acid;hydrochloride (PubChem CID 54606282) has the molecular formula C7H10ClN3O2 and a molecular weight of 203.63 g/mol. Its IUPAC name is 2-amino-3-pyrimidin-2-ylpropanoic acid;hydrochloride.

Molecular Properties

Compound Name2-amino-3-pyrimidin-2-ylpropanoic acid;hydrochloride
PubChem CID54606282
Molecular FormulaC7H10ClN3O2
Molecular Weight203.63 g/mol
Exact Mass203.05
IUPAC Name2-amino-3-pyrimidin-2-ylpropanoic acid;hydrochloride
SMILESCl.NC(Cc1ncccn1)C(=O)O
InChIInChI=1S/C7H9N3O2.ClH/c8-5(7(11)12)4-6-9-2-1-3-10-6;/h1-3,5H,4,8H2,(H,11,12);1H
InChIKeyAXHDFXXSOYSLBA-UHFFFAOYSA-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

3-[(Pyrimidin-2-yl)amino]propanoic acid
CID 10511282
2-Pyrimidineacetic Acid
CID 12367098
(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
2-Amino-3-(pyrimidin-2-yl)propanoic acid dihydrochloride
CID 122156706
(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-(4-Aminopyrimidin-2-yl)acetic acid
CID 70518030
2-Amino-3-(pyrimidin-2-yl)propanoic acid
CID 417395
N-Pyrimidin-4-ylglycine
CID 12588259
4-(Pyrimidin-2-ylamino)butanoic acid
CID 16228606

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-pyrimidin-2-ylpropanoic acid;hydrochloride?
The IUPAC name of 2-amino-3-pyrimidin-2-ylpropanoic acid;hydrochloride (CID 54606282) is 2-amino-3-pyrimidin-2-ylpropanoic acid;hydrochloride.
What is the SMILES notation for 2-amino-3-pyrimidin-2-ylpropanoic acid;hydrochloride?
The canonical SMILES for 2-amino-3-pyrimidin-2-ylpropanoic acid;hydrochloride is Cl.NC(Cc1ncccn1)C(=O)O.
What is the InChIKey of 2-amino-3-pyrimidin-2-ylpropanoic acid;hydrochloride?
The InChIKey is AXHDFXXSOYSLBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O2.ClH/c8-5(7(11)12)4-6-9-2-1-3-10-6;/h1-3,5H,4,8H2,(H,11,12);1H.
What are the key properties of 2-amino-3-pyrimidin-2-ylpropanoic acid;hydrochloride?
2-amino-3-pyrimidin-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 2-amino-3-pyrimidin-2-ylpropanoic acid;hydrochloride is sourced from PubChem (CID 54606282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).