2-[1-(3,4,5-trimethylpiperazine-1-carbonyl)pyrrolidin-3-yl]acetic acid

C14H25N3O3 — CID 114538676

IUPAC2-[1-(3,4,5-trimethylpiperazine-1-carbonyl)pyrrolidin-3-yl]acetic acid
SMILESCC1CN(C(=O)N2CCC(CC(=O)O)C2)CC(C)N1C
InChIInChI=1S/C14H25N3O3/c1-10-7-17(8-11(2)15(10)3)14(20)16-5-4-12(9-16)6-13(18)19/h10-12H,4-9H2,1-3H3,(H,18,19)
InChIKeyXBUYBANHWRTGCN-UHFFFAOYSA-N
MW283.37 g/mol
LogP0.93
Rot. Bonds2

About 2-[1-(3,4,5-trimethylpiperazine-1-carbonyl)pyrrolidin-3-yl]acetic acid

2-[1-(3,4,5-trimethylpiperazine-1-carbonyl)pyrrolidin-3-yl]acetic acid (PubChem CID 114538676) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-[1-(3,4,5-trimethylpiperazine-1-carbonyl)pyrrolidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(3,4,5-trimethylpiperazine-1-carbonyl)pyrrolidin-3-yl]acetic acid
PubChem CID114538676
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Name2-[1-(3,4,5-trimethylpiperazine-1-carbonyl)pyrrolidin-3-yl]acetic acid
SMILESCC1CN(C(=O)N2CCC(CC(=O)O)C2)CC(C)N1C
InChIInChI=1S/C14H25N3O3/c1-10-7-17(8-11(2)15(10)3)14(20)16-5-4-12(9-16)6-13(18)19/h10-12H,4-9H2,1-3H3,(H,18,19)
InChIKeyXBUYBANHWRTGCN-UHFFFAOYSA-N
XLogP0.93
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,4,5-trimethylpiperazine-1-carbonyl)pyrrolidin-3-yl]acetic acid?
The IUPAC name of 2-[1-(3,4,5-trimethylpiperazine-1-carbonyl)pyrrolidin-3-yl]acetic acid (CID 114538676) is 2-[1-(3,4,5-trimethylpiperazine-1-carbonyl)pyrrolidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(3,4,5-trimethylpiperazine-1-carbonyl)pyrrolidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-(3,4,5-trimethylpiperazine-1-carbonyl)pyrrolidin-3-yl]acetic acid is CC1CN(C(=O)N2CCC(CC(=O)O)C2)CC(C)N1C.
What is the InChIKey of 2-[1-(3,4,5-trimethylpiperazine-1-carbonyl)pyrrolidin-3-yl]acetic acid?
The InChIKey is XBUYBANHWRTGCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c1-10-7-17(8-11(2)15(10)3)14(20)16-5-4-12(9-16)6-13(18)19/h10-12H,4-9H2,1-3H3,(H,18,19).
What are the key properties of 2-[1-(3,4,5-trimethylpiperazine-1-carbonyl)pyrrolidin-3-yl]acetic acid?
2-[1-(3,4,5-trimethylpiperazine-1-carbonyl)pyrrolidin-3-yl]acetic acid has a molecular weight of 283.37 g/mol, XLogP of 0.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,4,5-trimethylpiperazine-1-carbonyl)pyrrolidin-3-yl]acetic acid is sourced from PubChem (CID 114538676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).