2-amino-3-(6-oxo-1H-pyrimidin-5-yl)propanoic acid;hydrochloride

C7H10ClN3O3 — CID 138991408

IUPAC2-amino-3-(6-oxo-1H-pyrimidin-5-yl)propanoic acid;hydrochloride
SMILESCl.NC(Cc1cnc[nH]c1=O)C(=O)O
InChIInChI=1S/C7H9N3O3.ClH/c8-5(7(12)13)1-4-2-9-3-10-6(4)11;/h2-3,5H,1,8H2,(H,12,13)(H,9,10,11);1H
InChIKeyAYGXQGUEGVDJSZ-UHFFFAOYSA-N
MW219.63 g/mol
LogP-0.85
Rot. Bonds3

About 2-amino-3-(6-oxo-1H-pyrimidin-5-yl)propanoic acid;hydrochloride

2-amino-3-(6-oxo-1H-pyrimidin-5-yl)propanoic acid;hydrochloride (PubChem CID 138991408) has the molecular formula C7H10ClN3O3 and a molecular weight of 219.63 g/mol. Its IUPAC name is 2-amino-3-(6-oxo-1H-pyrimidin-5-yl)propanoic acid;hydrochloride.

Molecular Properties

Compound Name2-amino-3-(6-oxo-1H-pyrimidin-5-yl)propanoic acid;hydrochloride
PubChem CID138991408
Molecular FormulaC7H10ClN3O3
Molecular Weight219.63 g/mol
Exact Mass219.04
IUPAC Name2-amino-3-(6-oxo-1H-pyrimidin-5-yl)propanoic acid;hydrochloride
SMILESCl.NC(Cc1cnc[nH]c1=O)C(=O)O
InChIInChI=1S/C7H9N3O3.ClH/c8-5(7(12)13)1-4-2-9-3-10-6(4)11;/h2-3,5H,1,8H2,(H,12,13)(H,9,10,11);1H
InChIKeyAYGXQGUEGVDJSZ-UHFFFAOYSA-N
XLogP-0.85
TPSA109.07 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.63
LogP ≤ 5-0.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(6-oxo-1H-pyrimidin-5-yl)propanoic acid;hydrochloride?
The IUPAC name of 2-amino-3-(6-oxo-1H-pyrimidin-5-yl)propanoic acid;hydrochloride (CID 138991408) is 2-amino-3-(6-oxo-1H-pyrimidin-5-yl)propanoic acid;hydrochloride.
What is the SMILES notation for 2-amino-3-(6-oxo-1H-pyrimidin-5-yl)propanoic acid;hydrochloride?
The canonical SMILES for 2-amino-3-(6-oxo-1H-pyrimidin-5-yl)propanoic acid;hydrochloride is Cl.NC(Cc1cnc[nH]c1=O)C(=O)O.
What is the InChIKey of 2-amino-3-(6-oxo-1H-pyrimidin-5-yl)propanoic acid;hydrochloride?
The InChIKey is AYGXQGUEGVDJSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O3.ClH/c8-5(7(12)13)1-4-2-9-3-10-6(4)11;/h2-3,5H,1,8H2,(H,12,13)(H,9,10,11);1H.
What are the key properties of 2-amino-3-(6-oxo-1H-pyrimidin-5-yl)propanoic acid;hydrochloride?
2-amino-3-(6-oxo-1H-pyrimidin-5-yl)propanoic acid;hydrochloride has a molecular weight of 219.63 g/mol, XLogP of -0.85, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(6-oxo-1H-pyrimidin-5-yl)propanoic acid;hydrochloride is sourced from PubChem (CID 138991408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).