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

C11H15N3O2 — CID 62698636

IUPAC2-[1-(pyrimidin-2-ylmethyl)pyrrolidin-2-yl]acetic acid
SMILESO=C(O)CC1CCCN1Cc1ncccn1
InChIInChI=1S/C11H15N3O2/c15-11(16)7-9-3-1-6-14(9)8-10-12-4-2-5-13-10/h2,4-5,9H,1,3,6-8H2,(H,15,16)
InChIKeyNCXZGTUBOYTUDW-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.92
Rot. Bonds4

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

2-[1-(pyrimidin-2-ylmethyl)pyrrolidin-2-yl]acetic acid (PubChem CID 62698636) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-[1-(pyrimidin-2-ylmethyl)pyrrolidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(pyrimidin-2-ylmethyl)pyrrolidin-2-yl]acetic acid
PubChem CID62698636
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name2-[1-(pyrimidin-2-ylmethyl)pyrrolidin-2-yl]acetic acid
SMILESO=C(O)CC1CCCN1Cc1ncccn1
InChIInChI=1S/C11H15N3O2/c15-11(16)7-9-3-1-6-14(9)8-10-12-4-2-5-13-10/h2,4-5,9H,1,3,6-8H2,(H,15,16)
InChIKeyNCXZGTUBOYTUDW-UHFFFAOYSA-N
XLogP0.92
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(pyrimidin-2-ylmethyl)pyrrolidin-2-yl]acetic acid?
The IUPAC name of 2-[1-(pyrimidin-2-ylmethyl)pyrrolidin-2-yl]acetic acid (CID 62698636) is 2-[1-(pyrimidin-2-ylmethyl)pyrrolidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-(pyrimidin-2-ylmethyl)pyrrolidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-(pyrimidin-2-ylmethyl)pyrrolidin-2-yl]acetic acid is O=C(O)CC1CCCN1Cc1ncccn1.
What is the InChIKey of 2-[1-(pyrimidin-2-ylmethyl)pyrrolidin-2-yl]acetic acid?
The InChIKey is NCXZGTUBOYTUDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c15-11(16)7-9-3-1-6-14(9)8-10-12-4-2-5-13-10/h2,4-5,9H,1,3,6-8H2,(H,15,16).
What are the key properties of 2-[1-(pyrimidin-2-ylmethyl)pyrrolidin-2-yl]acetic acid?
2-[1-(pyrimidin-2-ylmethyl)pyrrolidin-2-yl]acetic acid has a molecular weight of 221.26 g/mol, XLogP of 0.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(pyrimidin-2-ylmethyl)pyrrolidin-2-yl]acetic acid is sourced from PubChem (CID 62698636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).