3-[4-[2-oxo-3-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl)imidazolidin-1-yl]phenyl]propanoic acid

C19H21N5O3 — CID 18943666

IUPAC3-[4-[2-oxo-3-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl)imidazolidin-1-yl]phenyl]propanoic acid
SMILESO=C(O)CCc1ccc(N2CCN(c3ncc4c(n3)CNCC4)C2=O)cc1
InChIInChI=1S/C19H21N5O3/c25-17(26)6-3-13-1-4-15(5-2-13)23-9-10-24(19(23)27)18-21-11-14-7-8-20-12-16(14)22-18/h1-2,4-5,11,20H,3,6-10,12H2,(H,25,26)
InChIKeyAJZYEHVNCIZJSC-UHFFFAOYSA-N
MW367.41 g/mol
LogP1.59
Rot. Bonds5

About 3-[4-[2-oxo-3-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl)imidazolidin-1-yl]phenyl]propanoic acid

3-[4-[2-oxo-3-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl)imidazolidin-1-yl]phenyl]propanoic acid (PubChem CID 18943666) has the molecular formula C19H21N5O3 and a molecular weight of 367.41 g/mol. Its IUPAC name is 3-[4-[2-oxo-3-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl)imidazolidin-1-yl]phenyl]propanoic acid.

Molecular Properties

Compound Name3-[4-[2-oxo-3-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl)imidazolidin-1-yl]phenyl]propanoic acid
PubChem CID18943666
Molecular FormulaC19H21N5O3
Molecular Weight367.41 g/mol
Exact Mass367.16
IUPAC Name3-[4-[2-oxo-3-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl)imidazolidin-1-yl]phenyl]propanoic acid
SMILESO=C(O)CCc1ccc(N2CCN(c3ncc4c(n3)CNCC4)C2=O)cc1
InChIInChI=1S/C19H21N5O3/c25-17(26)6-3-13-1-4-15(5-2-13)23-9-10-24(19(23)27)18-21-11-14-7-8-20-12-16(14)22-18/h1-2,4-5,11,20H,3,6-10,12H2,(H,25,26)
InChIKeyAJZYEHVNCIZJSC-UHFFFAOYSA-N
XLogP1.59
TPSA98.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-oxo-3-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl)imidazolidin-1-yl]phenyl]propanoic acid?
The IUPAC name of 3-[4-[2-oxo-3-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl)imidazolidin-1-yl]phenyl]propanoic acid (CID 18943666) is 3-[4-[2-oxo-3-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl)imidazolidin-1-yl]phenyl]propanoic acid.
What is the SMILES notation for 3-[4-[2-oxo-3-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl)imidazolidin-1-yl]phenyl]propanoic acid?
The canonical SMILES for 3-[4-[2-oxo-3-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl)imidazolidin-1-yl]phenyl]propanoic acid is O=C(O)CCc1ccc(N2CCN(c3ncc4c(n3)CNCC4)C2=O)cc1.
What is the InChIKey of 3-[4-[2-oxo-3-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl)imidazolidin-1-yl]phenyl]propanoic acid?
The InChIKey is AJZYEHVNCIZJSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3/c25-17(26)6-3-13-1-4-15(5-2-13)23-9-10-24(19(23)27)18-21-11-14-7-8-20-12-16(14)22-18/h1-2,4-5,11,20H,3,6-10,12H2,(H,25,26).
What are the key properties of 3-[4-[2-oxo-3-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl)imidazolidin-1-yl]phenyl]propanoic acid?
3-[4-[2-oxo-3-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl)imidazolidin-1-yl]phenyl]propanoic acid has a molecular weight of 367.41 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-oxo-3-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl)imidazolidin-1-yl]phenyl]propanoic acid is sourced from PubChem (CID 18943666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).