3-(1,4,5,6-tetrahydropyrimidin-2-yl)propanoic acid;hydrochloride

C7H13ClN2O2 — CID 70356616

IUPAC3-(1,4,5,6-tetrahydropyrimidin-2-yl)propanoic acid;hydrochloride
SMILESCl.O=C(O)CCC1=NCCCN1
InChIInChI=1S/C7H12N2O2.ClH/c10-7(11)3-2-6-8-4-1-5-9-6;/h1-5H2,(H,8,9)(H,10,11);1H
InChIKeyIPIVWTZDGCGICJ-UHFFFAOYSA-N
MW192.65 g/mol
LogP0.66
Rot. Bonds3

About 3-(1,4,5,6-tetrahydropyrimidin-2-yl)propanoic acid;hydrochloride

3-(1,4,5,6-tetrahydropyrimidin-2-yl)propanoic acid;hydrochloride (PubChem CID 70356616) has the molecular formula C7H13ClN2O2 and a molecular weight of 192.65 g/mol. Its IUPAC name is 3-(1,4,5,6-tetrahydropyrimidin-2-yl)propanoic acid;hydrochloride.

Molecular Properties

Compound Name3-(1,4,5,6-tetrahydropyrimidin-2-yl)propanoic acid;hydrochloride
PubChem CID70356616
Molecular FormulaC7H13ClN2O2
Molecular Weight192.65 g/mol
Exact Mass192.07
IUPAC Name3-(1,4,5,6-tetrahydropyrimidin-2-yl)propanoic acid;hydrochloride
SMILESCl.O=C(O)CCC1=NCCCN1
InChIInChI=1S/C7H12N2O2.ClH/c10-7(11)3-2-6-8-4-1-5-9-6;/h1-5H2,(H,8,9)(H,10,11);1H
InChIKeyIPIVWTZDGCGICJ-UHFFFAOYSA-N
XLogP0.66
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.65
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1,4,5,6-tetrahydropyrimidin-2-yl)propanoic acid;hydrochloride?
The IUPAC name of 3-(1,4,5,6-tetrahydropyrimidin-2-yl)propanoic acid;hydrochloride (CID 70356616) is 3-(1,4,5,6-tetrahydropyrimidin-2-yl)propanoic acid;hydrochloride.
What is the SMILES notation for 3-(1,4,5,6-tetrahydropyrimidin-2-yl)propanoic acid;hydrochloride?
The canonical SMILES for 3-(1,4,5,6-tetrahydropyrimidin-2-yl)propanoic acid;hydrochloride is Cl.O=C(O)CCC1=NCCCN1.
What is the InChIKey of 3-(1,4,5,6-tetrahydropyrimidin-2-yl)propanoic acid;hydrochloride?
The InChIKey is IPIVWTZDGCGICJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2.ClH/c10-7(11)3-2-6-8-4-1-5-9-6;/h1-5H2,(H,8,9)(H,10,11);1H.
What are the key properties of 3-(1,4,5,6-tetrahydropyrimidin-2-yl)propanoic acid;hydrochloride?
3-(1,4,5,6-tetrahydropyrimidin-2-yl)propanoic acid;hydrochloride has a molecular weight of 192.65 g/mol, XLogP of 0.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,4,5,6-tetrahydropyrimidin-2-yl)propanoic acid;hydrochloride is sourced from PubChem (CID 70356616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).