3-[4-[3-[4-(aminomethyl)phenyl]-2-oxo-1,3-oxazolidine-5-carbonyl]piperazin-1-yl]propanoic acid

C18H24N4O5 — CID 15340946

About 3-[4-[3-[4-(aminomethyl)phenyl]-2-oxo-1,3-oxazolidine-5-carbonyl]piperazin-1-yl]propanoic acid

3-[4-[3-[4-(aminomethyl)phenyl]-2-oxo-1,3-oxazolidine-5-carbonyl]piperazin-1-yl]propanoic acid (PubChem CID 15340946) has the molecular formula C18H24N4O5 and a molecular weight of 376.41 g/mol. Its IUPAC name is 3-[4-[3-[4-(aminomethyl)phenyl]-2-oxo-1,3-oxazolidine-5-carbonyl]piperazin-1-yl]propanoic acid.

Molecular Properties

• Compound Name: 3-[4-[3-[4-(aminomethyl)phenyl]-2-oxo-1,3-oxazolidine-5-carbonyl]piperazin-1-yl]propanoic acid
• PubChem CID: 15340946
• Molecular Formula: C18H24N4O5
• Molecular Weight: 376.41 g/mol
• Exact Mass: 376.17
• IUPAC Name: 3-[4-[3-[4-(aminomethyl)phenyl]-2-oxo-1,3-oxazolidine-5-carbonyl]piperazin-1-yl]propanoic acid
• SMILES: NCc1ccc(N2CC(C(=O)N3CCN(CCC(=O)O)CC3)OC2=O)cc1
• InChI: InChI=1S/C18H24N4O5/c19-11-13-1-3-14(4-2-13)22-12-15(27-18(22)26)17(25)21-9-7-20(8-10-21)6-5-16(23)24/h1-4,15H,5-12,19H2,(H,23,24)
• InChIKey: GGMJBEJYXGFIFD-UHFFFAOYSA-N
• XLogP: 0.09
• TPSA: 116.41 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	376.41
LogP ≤ 5	0.09
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-[4-[3-[4-(aminomethyl)phenyl]-2-oxo-1,3-oxazolidine-5-carbonyl]piperazin-1-yl]propanoic acid?

The IUPAC name of 3-[4-[3-[4-(aminomethyl)phenyl]-2-oxo-1,3-oxazolidine-5-carbonyl]piperazin-1-yl]propanoic acid (CID 15340946) is 3-[4-[3-[4-(aminomethyl)phenyl]-2-oxo-1,3-oxazolidine-5-carbonyl]piperazin-1-yl]propanoic acid.

What is the SMILES notation for 3-[4-[3-[4-(aminomethyl)phenyl]-2-oxo-1,3-oxazolidine-5-carbonyl]piperazin-1-yl]propanoic acid?

The canonical SMILES for 3-[4-[3-[4-(aminomethyl)phenyl]-2-oxo-1,3-oxazolidine-5-carbonyl]piperazin-1-yl]propanoic acid is NCc1ccc(N2CC(C(=O)N3CCN(CCC(=O)O)CC3)OC2=O)cc1.

What is the InChIKey of 3-[4-[3-[4-(aminomethyl)phenyl]-2-oxo-1,3-oxazolidine-5-carbonyl]piperazin-1-yl]propanoic acid?

The InChIKey is GGMJBEJYXGFIFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O5/c19-11-13-1-3-14(4-2-13)22-12-15(27-18(22)26)17(25)21-9-7-20(8-10-21)6-5-16(23)24/h1-4,15H,5-12,19H2,(H,23,24).

What are the key properties of 3-[4-[3-[4-(aminomethyl)phenyl]-2-oxo-1,3-oxazolidine-5-carbonyl]piperazin-1-yl]propanoic acid?

3-[4-[3-[4-(aminomethyl)phenyl]-2-oxo-1,3-oxazolidine-5-carbonyl]piperazin-1-yl]propanoic acid has a molecular weight of 376.41 g/mol, XLogP of 0.09, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-[3-[4-(aminomethyl)phenyl]-2-oxo-1,3-oxazolidine-5-carbonyl]piperazin-1-yl]propanoic acid is sourced from PubChem (CID 15340946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).