2-[4-(cyclobutylmethyl)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetic acid

C14H24N2O3 — CID 110284122

IUPAC2-[4-(cyclobutylmethyl)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetic acid
SMILESCC(C)N1CCN(CC2CCC2)C(=O)C1CC(=O)O
InChIInChI=1S/C14H24N2O3/c1-10(2)16-7-6-15(9-11-4-3-5-11)14(19)12(16)8-13(17)18/h10-12H,3-9H2,1-2H3,(H,17,18)
InChIKeyNPDDFYZRFNUBPF-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.18
Rot. Bonds5

About 2-[4-(cyclobutylmethyl)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetic acid

2-[4-(cyclobutylmethyl)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetic acid (PubChem CID 110284122) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-[4-(cyclobutylmethyl)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(cyclobutylmethyl)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetic acid
PubChem CID110284122
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name2-[4-(cyclobutylmethyl)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetic acid
SMILESCC(C)N1CCN(CC2CCC2)C(=O)C1CC(=O)O
InChIInChI=1S/C14H24N2O3/c1-10(2)16-7-6-15(9-11-4-3-5-11)14(19)12(16)8-13(17)18/h10-12H,3-9H2,1-2H3,(H,17,18)
InChIKeyNPDDFYZRFNUBPF-UHFFFAOYSA-N
XLogP1.18
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclobutylmethyl)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetic acid?
The IUPAC name of 2-[4-(cyclobutylmethyl)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetic acid (CID 110284122) is 2-[4-(cyclobutylmethyl)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-(cyclobutylmethyl)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetic acid?
The canonical SMILES for 2-[4-(cyclobutylmethyl)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetic acid is CC(C)N1CCN(CC2CCC2)C(=O)C1CC(=O)O.
What is the InChIKey of 2-[4-(cyclobutylmethyl)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetic acid?
The InChIKey is NPDDFYZRFNUBPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-10(2)16-7-6-15(9-11-4-3-5-11)14(19)12(16)8-13(17)18/h10-12H,3-9H2,1-2H3,(H,17,18).
What are the key properties of 2-[4-(cyclobutylmethyl)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetic acid?
2-[4-(cyclobutylmethyl)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetic acid has a molecular weight of 268.36 g/mol, XLogP of 1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclobutylmethyl)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetic acid is sourced from PubChem (CID 110284122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).