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

C9H10FN3O2 — CID 91127549

IUPAC3-(5-fluoropyrimidin-2-yl)pyrrolidine-1-carboxylic acid
SMILESO=C(O)N1CCC(c2ncc(F)cn2)C1
InChIInChI=1S/C9H10FN3O2/c10-7-3-11-8(12-4-7)6-1-2-13(5-6)9(14)15/h3-4,6H,1-2,5H2,(H,14,15)
InChIKeyLWMMDEYYCROXQP-UHFFFAOYSA-N
MW211.20 g/mol
LogP1.08
Rot. Bonds1

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

3-(5-fluoropyrimidin-2-yl)pyrrolidine-1-carboxylic acid (PubChem CID 91127549) has the molecular formula C9H10FN3O2 and a molecular weight of 211.20 g/mol. Its IUPAC name is 3-(5-fluoropyrimidin-2-yl)pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name3-(5-fluoropyrimidin-2-yl)pyrrolidine-1-carboxylic acid
PubChem CID91127549
Molecular FormulaC9H10FN3O2
Molecular Weight211.20 g/mol
Exact Mass211.08
IUPAC Name3-(5-fluoropyrimidin-2-yl)pyrrolidine-1-carboxylic acid
SMILESO=C(O)N1CCC(c2ncc(F)cn2)C1
InChIInChI=1S/C9H10FN3O2/c10-7-3-11-8(12-4-7)6-1-2-13(5-6)9(14)15/h3-4,6H,1-2,5H2,(H,14,15)
InChIKeyLWMMDEYYCROXQP-UHFFFAOYSA-N
XLogP1.08
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.20
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Tert-butyl 3-(5-bromopyrimidin-2-yl)pyrrolidine-1-carboxylate
CID 68403800
4-(5-Fluoropyrimidin-2-yl)piperazine-1-carboxylic acid
CID 23149857
tert-butyl-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]carbamic acid
CID 66623930
Tert-butyl-[1-(5-fluoropyrimidin-2-yl)ethyl]carbamic acid
CID 66623932
Tert-butyl-[2-(5-fluoropyrimidin-2-yl)ethyl]carbamic acid
CID 67456067
2-(5-Fluoropyrimidin-2-yl)ethylcarbamic acid
CID 68720815
[2-(5-Fluoropyrimidin-2-yl)cyclopropyl]methylcarbamic acid
CID 89802594
tert-Butyl 3-(5-fluoropyrimidin-2-yl)azetidine-1-carboxylate
CID 125452139
tert-butyl (3S)-3-[(5-fluoropyrimidin-2-yl)methyl]pyrrolidine-1-carboxylate
CID 139490789
Tert-butyl 3-[(5-fluoropyrimidin-2-yl)methyl]pyrrolidine-1-carboxylate
CID 139500245
2-[1-(Cyclopropylmethyl)pyrrolidin-3-yl]-5-fluoropyrimidine
CID 140304887
2-[(5S)-3-(5-fluoropyrimidin-2-yl)-2-oxo-5-propan-2-ylimidazolidin-1-yl]acetic acid
CID 140625295

Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoropyrimidin-2-yl)pyrrolidine-1-carboxylic acid?
The IUPAC name of 3-(5-fluoropyrimidin-2-yl)pyrrolidine-1-carboxylic acid (CID 91127549) is 3-(5-fluoropyrimidin-2-yl)pyrrolidine-1-carboxylic acid.
What is the SMILES notation for 3-(5-fluoropyrimidin-2-yl)pyrrolidine-1-carboxylic acid?
The canonical SMILES for 3-(5-fluoropyrimidin-2-yl)pyrrolidine-1-carboxylic acid is O=C(O)N1CCC(c2ncc(F)cn2)C1.
What is the InChIKey of 3-(5-fluoropyrimidin-2-yl)pyrrolidine-1-carboxylic acid?
The InChIKey is LWMMDEYYCROXQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FN3O2/c10-7-3-11-8(12-4-7)6-1-2-13(5-6)9(14)15/h3-4,6H,1-2,5H2,(H,14,15).
What are the key properties of 3-(5-fluoropyrimidin-2-yl)pyrrolidine-1-carboxylic acid?
3-(5-fluoropyrimidin-2-yl)pyrrolidine-1-carboxylic acid has a molecular weight of 211.20 g/mol, XLogP of 1.08, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoropyrimidin-2-yl)pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 91127549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).