2-amino-3-(2,4-dioxo-1H-pyrimidin-5-yl)propanoic acid;hydrochloride

C7H10ClN3O4 — CID 138991852

IUPAC2-amino-3-(2,4-dioxo-1H-pyrimidin-5-yl)propanoic acid;hydrochloride
SMILESCl.NC(Cc1c[nH]c(=O)[nH]c1=O)C(=O)O
InChIInChI=1S/C7H9N3O4.ClH/c8-4(6(12)13)1-3-2-9-7(14)10-5(3)11;/h2,4H,1,8H2,(H,12,13)(H2,9,10,11,14);1H
InChIKeyGSELRJOMFXKPFQ-UHFFFAOYSA-N
MW235.63 g/mol
LogP-1.56
Rot. Bonds3

About 2-amino-3-(2,4-dioxo-1H-pyrimidin-5-yl)propanoic acid;hydrochloride

2-amino-3-(2,4-dioxo-1H-pyrimidin-5-yl)propanoic acid;hydrochloride (PubChem CID 138991852) has the molecular formula C7H10ClN3O4 and a molecular weight of 235.63 g/mol. Its IUPAC name is 2-amino-3-(2,4-dioxo-1H-pyrimidin-5-yl)propanoic acid;hydrochloride.

Molecular Properties

Compound Name2-amino-3-(2,4-dioxo-1H-pyrimidin-5-yl)propanoic acid;hydrochloride
PubChem CID138991852
Molecular FormulaC7H10ClN3O4
Molecular Weight235.63 g/mol
Exact Mass235.04
IUPAC Name2-amino-3-(2,4-dioxo-1H-pyrimidin-5-yl)propanoic acid;hydrochloride
SMILESCl.NC(Cc1c[nH]c(=O)[nH]c1=O)C(=O)O
InChIInChI=1S/C7H9N3O4.ClH/c8-4(6(12)13)1-3-2-9-7(14)10-5(3)11;/h2,4H,1,8H2,(H,12,13)(H2,9,10,11,14);1H
InChIKeyGSELRJOMFXKPFQ-UHFFFAOYSA-N
XLogP-1.56
TPSA129.04 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.63
LogP ≤ 5-1.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2,4-dioxo-1H-pyrimidin-5-yl)propanoic acid;hydrochloride?
The IUPAC name of 2-amino-3-(2,4-dioxo-1H-pyrimidin-5-yl)propanoic acid;hydrochloride (CID 138991852) is 2-amino-3-(2,4-dioxo-1H-pyrimidin-5-yl)propanoic acid;hydrochloride.
What is the SMILES notation for 2-amino-3-(2,4-dioxo-1H-pyrimidin-5-yl)propanoic acid;hydrochloride?
The canonical SMILES for 2-amino-3-(2,4-dioxo-1H-pyrimidin-5-yl)propanoic acid;hydrochloride is Cl.NC(Cc1c[nH]c(=O)[nH]c1=O)C(=O)O.
What is the InChIKey of 2-amino-3-(2,4-dioxo-1H-pyrimidin-5-yl)propanoic acid;hydrochloride?
The InChIKey is GSELRJOMFXKPFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O4.ClH/c8-4(6(12)13)1-3-2-9-7(14)10-5(3)11;/h2,4H,1,8H2,(H,12,13)(H2,9,10,11,14);1H.
What are the key properties of 2-amino-3-(2,4-dioxo-1H-pyrimidin-5-yl)propanoic acid;hydrochloride?
2-amino-3-(2,4-dioxo-1H-pyrimidin-5-yl)propanoic acid;hydrochloride has a molecular weight of 235.63 g/mol, XLogP of -1.56, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2,4-dioxo-1H-pyrimidin-5-yl)propanoic acid;hydrochloride is sourced from PubChem (CID 138991852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).