2-[1-[4-(2-methylpropyl)piperazine-1-carbonyl]pyrrolidin-2-yl]acetic acid

C15H27N3O3 — CID 62777322

IUPAC2-[1-[4-(2-methylpropyl)piperazine-1-carbonyl]pyrrolidin-2-yl]acetic acid
SMILESCC(C)CN1CCN(C(=O)N2CCCC2CC(=O)O)CC1
InChIInChI=1S/C15H27N3O3/c1-12(2)11-16-6-8-17(9-7-16)15(21)18-5-3-4-13(18)10-14(19)20/h12-13H,3-11H2,1-2H3,(H,19,20)
InChIKeyKONIQIGOSACPNL-UHFFFAOYSA-N
MW297.40 g/mol
LogP1.32
Rot. Bonds4

About 2-[1-[4-(2-methylpropyl)piperazine-1-carbonyl]pyrrolidin-2-yl]acetic acid

2-[1-[4-(2-methylpropyl)piperazine-1-carbonyl]pyrrolidin-2-yl]acetic acid (PubChem CID 62777322) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is 2-[1-[4-(2-methylpropyl)piperazine-1-carbonyl]pyrrolidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[4-(2-methylpropyl)piperazine-1-carbonyl]pyrrolidin-2-yl]acetic acid
PubChem CID62777322
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Name2-[1-[4-(2-methylpropyl)piperazine-1-carbonyl]pyrrolidin-2-yl]acetic acid
SMILESCC(C)CN1CCN(C(=O)N2CCCC2CC(=O)O)CC1
InChIInChI=1S/C15H27N3O3/c1-12(2)11-16-6-8-17(9-7-16)15(21)18-5-3-4-13(18)10-14(19)20/h12-13H,3-11H2,1-2H3,(H,19,20)
InChIKeyKONIQIGOSACPNL-UHFFFAOYSA-N
XLogP1.32
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(4-acetylpiperazine-1-carbonyl)pyrrolidin-2-yl]acetic acid
CID 61370184
2-[1-[4-(2-hydroxyethyl)piperazine-1-carbonyl]pyrrolidin-2-yl]acetic acid
CID 61370200
2-[1-(piperidine-1-carbonyl)piperidin-2-yl]acetic acid
CID 61181297
2-[1-(morpholine-4-carbonyl)pyrrolidin-2-yl]acetic acid
CID 61370369
2-[1-(4-aminopiperidine-1-carbonyl)pyrrolidin-2-yl]acetic acid
CID 61403064
2-[1-(3,4,5-trimethylpiperazine-1-carbonyl)pyrrolidin-2-yl]acetic acid
CID 114538816
2-[1-(4-methoxypiperidine-1-carbonyl)pyrrolidin-2-yl]acetic acid
CID 61370775
2-[1-[4-(hydroxymethyl)piperidine-1-carbonyl]pyrrolidin-2-yl]acetic acid
CID 61369998
2-[4-(2-methylpropyl)piperazin-1-yl]-2-oxoacetic acid
CID 2051289
2-[1-(4-hydroxypiperidine-1-carbonyl)piperidin-2-yl]acetic acid
CID 61190975
[4-(2-methylpropyl)piperazin-1-yl]-piperidin-1-ylmethanone
CID 70534208
1-[4-(2-methylpropyl)piperazine-1-carbonyl]piperidine-4-carboxylic acid
CID 62776977

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(2-methylpropyl)piperazine-1-carbonyl]pyrrolidin-2-yl]acetic acid?
The IUPAC name of 2-[1-[4-(2-methylpropyl)piperazine-1-carbonyl]pyrrolidin-2-yl]acetic acid (CID 62777322) is 2-[1-[4-(2-methylpropyl)piperazine-1-carbonyl]pyrrolidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-[4-(2-methylpropyl)piperazine-1-carbonyl]pyrrolidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-[4-(2-methylpropyl)piperazine-1-carbonyl]pyrrolidin-2-yl]acetic acid is CC(C)CN1CCN(C(=O)N2CCCC2CC(=O)O)CC1.
What is the InChIKey of 2-[1-[4-(2-methylpropyl)piperazine-1-carbonyl]pyrrolidin-2-yl]acetic acid?
The InChIKey is KONIQIGOSACPNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-12(2)11-16-6-8-17(9-7-16)15(21)18-5-3-4-13(18)10-14(19)20/h12-13H,3-11H2,1-2H3,(H,19,20).
What are the key properties of 2-[1-[4-(2-methylpropyl)piperazine-1-carbonyl]pyrrolidin-2-yl]acetic acid?
2-[1-[4-(2-methylpropyl)piperazine-1-carbonyl]pyrrolidin-2-yl]acetic acid has a molecular weight of 297.40 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(2-methylpropyl)piperazine-1-carbonyl]pyrrolidin-2-yl]acetic acid is sourced from PubChem (CID 62777322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).