2-(1-pyrimidin-4-ylpyrrolidin-2-yl)acetic acid

C10H13N3O2 — CID 61372854

IUPAC2-(1-pyrimidin-4-ylpyrrolidin-2-yl)acetic acid
SMILESO=C(O)CC1CCCN1c1ccncn1
InChIInChI=1S/C10H13N3O2/c14-10(15)6-8-2-1-5-13(8)9-3-4-11-7-12-9/h3-4,7-8H,1-2,5-6H2,(H,14,15)
InChIKeyJHFXJNFIQNCIRD-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.92
Rot. Bonds3

About 2-(1-pyrimidin-4-ylpyrrolidin-2-yl)acetic acid

2-(1-pyrimidin-4-ylpyrrolidin-2-yl)acetic acid (PubChem CID 61372854) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 2-(1-pyrimidin-4-ylpyrrolidin-2-yl)acetic acid.

Molecular Properties

Compound Name2-(1-pyrimidin-4-ylpyrrolidin-2-yl)acetic acid
PubChem CID61372854
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name2-(1-pyrimidin-4-ylpyrrolidin-2-yl)acetic acid
SMILESO=C(O)CC1CCCN1c1ccncn1
InChIInChI=1S/C10H13N3O2/c14-10(15)6-8-2-1-5-13(8)9-3-4-11-7-12-9/h3-4,7-8H,1-2,5-6H2,(H,14,15)
InChIKeyJHFXJNFIQNCIRD-UHFFFAOYSA-N
XLogP0.92
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
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-4-ylpyrrolidin-2-yl)acetic acid?
The IUPAC name of 2-(1-pyrimidin-4-ylpyrrolidin-2-yl)acetic acid (CID 61372854) is 2-(1-pyrimidin-4-ylpyrrolidin-2-yl)acetic acid.
What is the SMILES notation for 2-(1-pyrimidin-4-ylpyrrolidin-2-yl)acetic acid?
The canonical SMILES for 2-(1-pyrimidin-4-ylpyrrolidin-2-yl)acetic acid is O=C(O)CC1CCCN1c1ccncn1.
What is the InChIKey of 2-(1-pyrimidin-4-ylpyrrolidin-2-yl)acetic acid?
The InChIKey is JHFXJNFIQNCIRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c14-10(15)6-8-2-1-5-13(8)9-3-4-11-7-12-9/h3-4,7-8H,1-2,5-6H2,(H,14,15).
What are the key properties of 2-(1-pyrimidin-4-ylpyrrolidin-2-yl)acetic acid?
2-(1-pyrimidin-4-ylpyrrolidin-2-yl)acetic acid has a molecular weight of 207.23 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-pyrimidin-4-ylpyrrolidin-2-yl)acetic acid is sourced from PubChem (CID 61372854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).