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

C18H24N4O5 — CID 15340946

IUPAC3-[4-[3-[4-(aminomethyl)phenyl]-2-oxo-1,3-oxazolidine-5-carbonyl]piperazin-1-yl]propanoic acid
SMILESNCc1ccc(N2CC(C(=O)N3CCN(CCC(=O)O)CC3)OC2=O)cc1
InChIInChI=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)
InChIKeyGGMJBEJYXGFIFD-UHFFFAOYSA-N
MW376.41 g/mol
LogP0.09
Rot. Bonds6

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 Name3-[4-[3-[4-(aminomethyl)phenyl]-2-oxo-1,3-oxazolidine-5-carbonyl]piperazin-1-yl]propanoic acid
PubChem CID15340946
Molecular FormulaC18H24N4O5
Molecular Weight376.41 g/mol
Exact Mass376.17
IUPAC Name3-[4-[3-[4-(aminomethyl)phenyl]-2-oxo-1,3-oxazolidine-5-carbonyl]piperazin-1-yl]propanoic acid
SMILESNCc1ccc(N2CC(C(=O)N3CCN(CCC(=O)O)CC3)OC2=O)cc1
InChIInChI=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)
InChIKeyGGMJBEJYXGFIFD-UHFFFAOYSA-N
XLogP0.09
TPSA116.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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).