1-(5-fluoropyrimidin-2-yl)-3-methylpyrrolidine-2-carboxylic acid

C10H12FN3O2 — CID 102776463

IUPAC1-(5-fluoropyrimidin-2-yl)-3-methylpyrrolidine-2-carboxylic acid
SMILESCC1CCN(c2ncc(F)cn2)C1C(=O)O
InChIInChI=1S/C10H12FN3O2/c1-6-2-3-14(8(6)9(15)16)10-12-4-7(11)5-13-10/h4-6,8H,2-3H2,1H3,(H,15,16)
InChIKeyAEULJZHYYQWKPD-UHFFFAOYSA-N
MW225.22 g/mol
LogP0.92
Rot. Bonds2

About 1-(5-fluoropyrimidin-2-yl)-3-methylpyrrolidine-2-carboxylic acid

1-(5-fluoropyrimidin-2-yl)-3-methylpyrrolidine-2-carboxylic acid (PubChem CID 102776463) has the molecular formula C10H12FN3O2 and a molecular weight of 225.22 g/mol. Its IUPAC name is 1-(5-fluoropyrimidin-2-yl)-3-methylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(5-fluoropyrimidin-2-yl)-3-methylpyrrolidine-2-carboxylic acid
PubChem CID102776463
Molecular FormulaC10H12FN3O2
Molecular Weight225.22 g/mol
Exact Mass225.09
IUPAC Name1-(5-fluoropyrimidin-2-yl)-3-methylpyrrolidine-2-carboxylic acid
SMILESCC1CCN(c2ncc(F)cn2)C1C(=O)O
InChIInChI=1S/C10H12FN3O2/c1-6-2-3-14(8(6)9(15)16)10-12-4-7(11)5-13-10/h4-6,8H,2-3H2,1H3,(H,15,16)
InChIKeyAEULJZHYYQWKPD-UHFFFAOYSA-N
XLogP0.92
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.22
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(Pyrimidin-2-yl)pyrrolidine-2-carboxylic acid
CID 656362
8-(5-Fluoro-2-pyrimidinyl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 56890794
1-(Pyrimidin-4-yl)pyrrolidine-2-carboxylic acid hydrochloride
CID 155971005
1-(Pyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 61253166
1-[(2-ethylpyrimidin-5-yl)methyl]-2-methyl-L-proline
CID 91832281
2-[1-(5-Fluoropyrimidin-2-yl)piperidin-4-yl]acetic acid
CID 57962475
1-(5-Fluoropyrimidin-2-yl)piperidine-3-carboxylic acid
CID 60137804
2-[1-(5-Fluoropyrimidin-2-yl)piperidin-4-yl]acetic acid;2,2,2-trifluoroacetic acid
CID 66881245
1-(2-Chloro-5-fluoropyrimidin-4-yl)-5-oxopyrrolidine-2-carboxylic acid
CID 90459300
1-(5-Fluoro-2-pyrimidinyl)-2-methyl-4-piperidinecarboxylic acid
CID 106742541
2-[1-(5-Fluoropyrimidin-2-yl)pyrrolidin-3-yl]-2-methylpropanoic acid
CID 135382638
Methyl 2-[1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]-2-methylpropanoate
CID 135382789

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoropyrimidin-2-yl)-3-methylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(5-fluoropyrimidin-2-yl)-3-methylpyrrolidine-2-carboxylic acid (CID 102776463) is 1-(5-fluoropyrimidin-2-yl)-3-methylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(5-fluoropyrimidin-2-yl)-3-methylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(5-fluoropyrimidin-2-yl)-3-methylpyrrolidine-2-carboxylic acid is CC1CCN(c2ncc(F)cn2)C1C(=O)O.
What is the InChIKey of 1-(5-fluoropyrimidin-2-yl)-3-methylpyrrolidine-2-carboxylic acid?
The InChIKey is AEULJZHYYQWKPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN3O2/c1-6-2-3-14(8(6)9(15)16)10-12-4-7(11)5-13-10/h4-6,8H,2-3H2,1H3,(H,15,16).
What are the key properties of 1-(5-fluoropyrimidin-2-yl)-3-methylpyrrolidine-2-carboxylic acid?
1-(5-fluoropyrimidin-2-yl)-3-methylpyrrolidine-2-carboxylic acid has a molecular weight of 225.22 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoropyrimidin-2-yl)-3-methylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 102776463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).