3-(2-oxopyrimidin-1-yl)propanoic acid;hydrochloride

C7H9ClN2O3 — CID 42939555

IUPAC3-(2-oxopyrimidin-1-yl)propanoic acid;hydrochloride
SMILESCl.O=C(O)CCn1cccnc1=O
InChIInChI=1S/C7H8N2O3.ClH/c10-6(11)2-5-9-4-1-3-8-7(9)12;/h1,3-4H,2,5H2,(H,10,11);1H
InChIKeyAVDPBFOBSNQKKL-UHFFFAOYSA-N
MW204.61 g/mol
LogP0.14
Rot. Bonds3

About 3-(2-oxopyrimidin-1-yl)propanoic acid;hydrochloride

3-(2-oxopyrimidin-1-yl)propanoic acid;hydrochloride (PubChem CID 42939555) has the molecular formula C7H9ClN2O3 and a molecular weight of 204.61 g/mol. Its IUPAC name is 3-(2-oxopyrimidin-1-yl)propanoic acid;hydrochloride.

Molecular Properties

Compound Name3-(2-oxopyrimidin-1-yl)propanoic acid;hydrochloride
PubChem CID42939555
Molecular FormulaC7H9ClN2O3
Molecular Weight204.61 g/mol
Exact Mass204.03
IUPAC Name3-(2-oxopyrimidin-1-yl)propanoic acid;hydrochloride
SMILESCl.O=C(O)CCn1cccnc1=O
InChIInChI=1S/C7H8N2O3.ClH/c10-6(11)2-5-9-4-1-3-8-7(9)12;/h1,3-4H,2,5H2,(H,10,11);1H
InChIKeyAVDPBFOBSNQKKL-UHFFFAOYSA-N
XLogP0.14
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.61
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-oxopyrimidin-1-yl)propanoic acid;hydrochloride?
The IUPAC name of 3-(2-oxopyrimidin-1-yl)propanoic acid;hydrochloride (CID 42939555) is 3-(2-oxopyrimidin-1-yl)propanoic acid;hydrochloride.
What is the SMILES notation for 3-(2-oxopyrimidin-1-yl)propanoic acid;hydrochloride?
The canonical SMILES for 3-(2-oxopyrimidin-1-yl)propanoic acid;hydrochloride is Cl.O=C(O)CCn1cccnc1=O.
What is the InChIKey of 3-(2-oxopyrimidin-1-yl)propanoic acid;hydrochloride?
The InChIKey is AVDPBFOBSNQKKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O3.ClH/c10-6(11)2-5-9-4-1-3-8-7(9)12;/h1,3-4H,2,5H2,(H,10,11);1H.
What are the key properties of 3-(2-oxopyrimidin-1-yl)propanoic acid;hydrochloride?
3-(2-oxopyrimidin-1-yl)propanoic acid;hydrochloride has a molecular weight of 204.61 g/mol, XLogP of 0.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxopyrimidin-1-yl)propanoic acid;hydrochloride is sourced from PubChem (CID 42939555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).