(2S)-1-(5-fluoropyrimidin-2-yl)piperidine-2-carboxylic acid

C10H12FN3O2 — CID 95731994

IUPAC(2S)-1-(5-fluoropyrimidin-2-yl)piperidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCCN1c1ncc(F)cn1
InChIInChI=1S/C10H12FN3O2/c11-7-5-12-10(13-6-7)14-4-2-1-3-8(14)9(15)16/h5-6,8H,1-4H2,(H,15,16)/t8-/m0/s1
InChIKeyUZYWQPXJNMHOAV-QMMMGPOBSA-N
MW225.22 g/mol
LogP1.06
Rot. Bonds2

About (2S)-1-(5-fluoropyrimidin-2-yl)piperidine-2-carboxylic acid

(2S)-1-(5-fluoropyrimidin-2-yl)piperidine-2-carboxylic acid (PubChem CID 95731994) has the molecular formula C10H12FN3O2 and a molecular weight of 225.22 g/mol. Its IUPAC name is (2S)-1-(5-fluoropyrimidin-2-yl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-(5-fluoropyrimidin-2-yl)piperidine-2-carboxylic acid
PubChem CID95731994
Molecular FormulaC10H12FN3O2
Molecular Weight225.22 g/mol
Exact Mass225.09
IUPAC Name(2S)-1-(5-fluoropyrimidin-2-yl)piperidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCCN1c1ncc(F)cn1
InChIInChI=1S/C10H12FN3O2/c11-7-5-12-10(13-6-7)14-4-2-1-3-8(14)9(15)16/h5-6,8H,1-4H2,(H,15,16)/t8-/m0/s1
InChIKeyUZYWQPXJNMHOAV-QMMMGPOBSA-N
XLogP1.06
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 ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(Pyrimidin-2-yl)piperidine-2-carboxylic acid
CID 16769819
8-(5-Fluoro-2-pyrimidinyl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 56890794
2-[1-(5-Fluoropyrimidin-2-yl)piperidin-4-yl]acetic acid
CID 57962475
1-(5-Fluoropyrimidin-2-yl)piperidine-3-carboxylic acid
CID 60137804
1-(5-Fluoropyrimidin-2-yl)piperidine-4-carboxylic acid
CID 60137806
1-(5-Fluoro-2-pyrimidinyl)-2-methyl-4-piperidinecarboxylic acid
CID 106742541
(3S)-3-fluoro-1-(5-fluoropyrimidin-2-yl)piperidine-4-carboxylic acid
CID 142475865
4-Fluoro-1-(5-fluoropyrimidin-2-yl)piperidine-4-carboxylic acid
CID 142475968
(3S,4S)-3-fluoro-1-(5-fluoropyrimidin-2-yl)piperidine-4-carboxylic acid
CID 146494497
(2R)-3-cyclobutyl-2-[3-[[4-[ethyl-(5-fluoropyrimidin-2-yl)amino]piperidin-1-yl]methyl]pyrrolidin-1-yl]propanoic acid
CID 148501318
5-(5-Fluoropyrimidin-2-yl)-2-formamidopentanoic acid
CID 176035321
2-Methyl-1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxylic acid
CID 177936909

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(5-fluoropyrimidin-2-yl)piperidine-2-carboxylic acid?
The IUPAC name of (2S)-1-(5-fluoropyrimidin-2-yl)piperidine-2-carboxylic acid (CID 95731994) is (2S)-1-(5-fluoropyrimidin-2-yl)piperidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-(5-fluoropyrimidin-2-yl)piperidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-(5-fluoropyrimidin-2-yl)piperidine-2-carboxylic acid is O=C(O)[C@@H]1CCCCN1c1ncc(F)cn1.
What is the InChIKey of (2S)-1-(5-fluoropyrimidin-2-yl)piperidine-2-carboxylic acid?
The InChIKey is UZYWQPXJNMHOAV-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H12FN3O2/c11-7-5-12-10(13-6-7)14-4-2-1-3-8(14)9(15)16/h5-6,8H,1-4H2,(H,15,16)/t8-/m0/s1.
What are the key properties of (2S)-1-(5-fluoropyrimidin-2-yl)piperidine-2-carboxylic acid?
(2S)-1-(5-fluoropyrimidin-2-yl)piperidine-2-carboxylic acid has a molecular weight of 225.22 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(5-fluoropyrimidin-2-yl)piperidine-2-carboxylic acid is sourced from PubChem (CID 95731994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).