2-[1-[5-(2-methylpropyl)pyrimidin-2-yl]pyrrolidin-2-yl]acetic acid

C14H21N3O2 — CID 116976841

IUPAC2-[1-[5-(2-methylpropyl)pyrimidin-2-yl]pyrrolidin-2-yl]acetic acid
SMILESCC(C)Cc1cnc(N2CCCC2CC(=O)O)nc1
InChIInChI=1S/C14H21N3O2/c1-10(2)6-11-8-15-14(16-9-11)17-5-3-4-12(17)7-13(18)19/h8-10,12H,3-7H2,1-2H3,(H,18,19)
InChIKeyWCXGHVRUXOTJOO-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.12
Rot. Bonds5

About 2-[1-[5-(2-methylpropyl)pyrimidin-2-yl]pyrrolidin-2-yl]acetic acid

2-[1-[5-(2-methylpropyl)pyrimidin-2-yl]pyrrolidin-2-yl]acetic acid (PubChem CID 116976841) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-[1-[5-(2-methylpropyl)pyrimidin-2-yl]pyrrolidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[5-(2-methylpropyl)pyrimidin-2-yl]pyrrolidin-2-yl]acetic acid
PubChem CID116976841
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name2-[1-[5-(2-methylpropyl)pyrimidin-2-yl]pyrrolidin-2-yl]acetic acid
SMILESCC(C)Cc1cnc(N2CCCC2CC(=O)O)nc1
InChIInChI=1S/C14H21N3O2/c1-10(2)6-11-8-15-14(16-9-11)17-5-3-4-12(17)7-13(18)19/h8-10,12H,3-7H2,1-2H3,(H,18,19)
InChIKeyWCXGHVRUXOTJOO-UHFFFAOYSA-N
XLogP2.12
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[5-(2-methylpropyl)pyrimidin-2-yl]pyrrolidin-2-yl]acetic acid?
The IUPAC name of 2-[1-[5-(2-methylpropyl)pyrimidin-2-yl]pyrrolidin-2-yl]acetic acid (CID 116976841) is 2-[1-[5-(2-methylpropyl)pyrimidin-2-yl]pyrrolidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-[5-(2-methylpropyl)pyrimidin-2-yl]pyrrolidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-[5-(2-methylpropyl)pyrimidin-2-yl]pyrrolidin-2-yl]acetic acid is CC(C)Cc1cnc(N2CCCC2CC(=O)O)nc1.
What is the InChIKey of 2-[1-[5-(2-methylpropyl)pyrimidin-2-yl]pyrrolidin-2-yl]acetic acid?
The InChIKey is WCXGHVRUXOTJOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-10(2)6-11-8-15-14(16-9-11)17-5-3-4-12(17)7-13(18)19/h8-10,12H,3-7H2,1-2H3,(H,18,19).
What are the key properties of 2-[1-[5-(2-methylpropyl)pyrimidin-2-yl]pyrrolidin-2-yl]acetic acid?
2-[1-[5-(2-methylpropyl)pyrimidin-2-yl]pyrrolidin-2-yl]acetic acid has a molecular weight of 263.34 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[5-(2-methylpropyl)pyrimidin-2-yl]pyrrolidin-2-yl]acetic acid is sourced from PubChem (CID 116976841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).