(2R)-4-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)piperazine-2-carboxylic acid

C13H18FN5O2 — CID 95554820

IUPAC(2R)-4-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)piperazine-2-carboxylic acid
SMILESO=C(O)[C@H]1CN(c2ncc(F)c(N3CCCC3)n2)CCN1
InChIInChI=1S/C13H18FN5O2/c14-9-7-16-13(17-11(9)18-4-1-2-5-18)19-6-3-15-10(8-19)12(20)21/h7,10,15H,1-6,8H2,(H,20,21)/t10-/m1/s1
InChIKeyRUQWDIOZRSZPRX-SNVBAGLBSA-N
MW295.32 g/mol
LogP0.08
Rot. Bonds3

About (2R)-4-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)piperazine-2-carboxylic acid

(2R)-4-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)piperazine-2-carboxylic acid (PubChem CID 95554820) has the molecular formula C13H18FN5O2 and a molecular weight of 295.32 g/mol. Its IUPAC name is (2R)-4-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)piperazine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-4-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)piperazine-2-carboxylic acid
PubChem CID95554820
Molecular FormulaC13H18FN5O2
Molecular Weight295.32 g/mol
Exact Mass295.14
IUPAC Name(2R)-4-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)piperazine-2-carboxylic acid
SMILESO=C(O)[C@H]1CN(c2ncc(F)c(N3CCCC3)n2)CCN1
InChIInChI=1S/C13H18FN5O2/c14-9-7-16-13(17-11(9)18-4-1-2-5-18)19-6-3-15-10(8-19)12(20)21/h7,10,15H,1-6,8H2,(H,20,21)/t10-/m1/s1
InChIKeyRUQWDIOZRSZPRX-SNVBAGLBSA-N
XLogP0.08
TPSA81.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.32
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2R)-4-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)piperazine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-8-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 97132058
(2S)-4-pyrimidin-2-ylpiperazine-2-carboxylic acid
CID 97169312
(3S,4S)-1-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-3,4-dimethylpyrrolidin-3-ol
CID 133123745
[(2R)-4-(5-fluoropyrimidin-2-yl)piperazin-2-yl]-pyrrolidin-1-ylmethanone
CID 95721720
(2R)-4-(4,6-dimethylpyrimidin-2-yl)piperazine-2-carboxylic acid
CID 97176235
4-(5-fluoro-2-piperidin-1-ylpyrimidin-4-yl)morpholine
CID 3631524
4-(3-hydroxy-2-pyridinyl)piperazine-2-carboxylic acid
CID 71649700
4-[4-(4-hydroxypiperidin-1-yl)pyrimidin-2-yl]piperazine-2-carboxylic acid
CID 56880424
1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-N-methylpyrrolidine-3-carboxamide
CID 50962192
(2R)-4-(3-methylpyrazin-2-yl)piperazine-2-carboxylic acid
CID 97176850
4-pyridin-2-ylpiperazine-2-carboxylic acid
CID 44607823
5-fluoro-2-(3-pyridin-3-ylazetidin-1-yl)-4-pyrrolidin-1-ylpyrimidine
CID 56883380

Frequently Asked Questions

What is the IUPAC name of (2R)-4-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)piperazine-2-carboxylic acid?
The IUPAC name of (2R)-4-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)piperazine-2-carboxylic acid (CID 95554820) is (2R)-4-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)piperazine-2-carboxylic acid.
What is the SMILES notation for (2R)-4-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)piperazine-2-carboxylic acid?
The canonical SMILES for (2R)-4-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)piperazine-2-carboxylic acid is O=C(O)[C@H]1CN(c2ncc(F)c(N3CCCC3)n2)CCN1.
What is the InChIKey of (2R)-4-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)piperazine-2-carboxylic acid?
The InChIKey is RUQWDIOZRSZPRX-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H18FN5O2/c14-9-7-16-13(17-11(9)18-4-1-2-5-18)19-6-3-15-10(8-19)12(20)21/h7,10,15H,1-6,8H2,(H,20,21)/t10-/m1/s1.
What are the key properties of (2R)-4-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)piperazine-2-carboxylic acid?
(2R)-4-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)piperazine-2-carboxylic acid has a molecular weight of 295.32 g/mol, XLogP of 0.08, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)piperazine-2-carboxylic acid is sourced from PubChem (CID 95554820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).