2-[1-[1-(2-methylpropanoyl)pyrrolidine-2-carbonyl]piperidin-4-yl]acetic acid

C16H26N2O4 — CID 20737910

IUPAC2-[1-[1-(2-methylpropanoyl)pyrrolidine-2-carbonyl]piperidin-4-yl]acetic acid
SMILESCC(C)C(=O)N1CCCC1C(=O)N1CCC(CC(=O)O)CC1
InChIInChI=1S/C16H26N2O4/c1-11(2)15(21)18-7-3-4-13(18)16(22)17-8-5-12(6-9-17)10-14(19)20/h11-13H,3-10H2,1-2H3,(H,19,20)
InChIKeyCEJQHJFCRBOTBZ-UHFFFAOYSA-N
MW310.39 g/mol
LogP1.35
Rot. Bonds4

About 2-[1-[1-(2-methylpropanoyl)pyrrolidine-2-carbonyl]piperidin-4-yl]acetic acid

2-[1-[1-(2-methylpropanoyl)pyrrolidine-2-carbonyl]piperidin-4-yl]acetic acid (PubChem CID 20737910) has the molecular formula C16H26N2O4 and a molecular weight of 310.39 g/mol. Its IUPAC name is 2-[1-[1-(2-methylpropanoyl)pyrrolidine-2-carbonyl]piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[1-(2-methylpropanoyl)pyrrolidine-2-carbonyl]piperidin-4-yl]acetic acid
PubChem CID20737910
Molecular FormulaC16H26N2O4
Molecular Weight310.39 g/mol
Exact Mass310.19
IUPAC Name2-[1-[1-(2-methylpropanoyl)pyrrolidine-2-carbonyl]piperidin-4-yl]acetic acid
SMILESCC(C)C(=O)N1CCCC1C(=O)N1CCC(CC(=O)O)CC1
InChIInChI=1S/C16H26N2O4/c1-11(2)15(21)18-7-3-4-13(18)16(22)17-8-5-12(6-9-17)10-14(19)20/h11-13H,3-10H2,1-2H3,(H,19,20)
InChIKeyCEJQHJFCRBOTBZ-UHFFFAOYSA-N
XLogP1.35
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[1-(2-methylpropanoyl)pyrrolidine-2-carbonyl]piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-[1-(2-methylpropanoyl)pyrrolidine-2-carbonyl]piperidin-4-yl]acetic acid (CID 20737910) is 2-[1-[1-(2-methylpropanoyl)pyrrolidine-2-carbonyl]piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-[1-(2-methylpropanoyl)pyrrolidine-2-carbonyl]piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-[1-(2-methylpropanoyl)pyrrolidine-2-carbonyl]piperidin-4-yl]acetic acid is CC(C)C(=O)N1CCCC1C(=O)N1CCC(CC(=O)O)CC1.
What is the InChIKey of 2-[1-[1-(2-methylpropanoyl)pyrrolidine-2-carbonyl]piperidin-4-yl]acetic acid?
The InChIKey is CEJQHJFCRBOTBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O4/c1-11(2)15(21)18-7-3-4-13(18)16(22)17-8-5-12(6-9-17)10-14(19)20/h11-13H,3-10H2,1-2H3,(H,19,20).
What are the key properties of 2-[1-[1-(2-methylpropanoyl)pyrrolidine-2-carbonyl]piperidin-4-yl]acetic acid?
2-[1-[1-(2-methylpropanoyl)pyrrolidine-2-carbonyl]piperidin-4-yl]acetic acid has a molecular weight of 310.39 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[1-(2-methylpropanoyl)pyrrolidine-2-carbonyl]piperidin-4-yl]acetic acid is sourced from PubChem (CID 20737910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).