(3S)-1-(4-amino-2-chloropyrimidin-5-yl)piperidine-3-carboxylic acid

C10H13ClN4O2 — CID 177244085

IUPAC(3S)-1-(4-amino-2-chloropyrimidin-5-yl)piperidine-3-carboxylic acid
SMILESNc1nc(Cl)ncc1N1CCC[C@H](C(=O)O)C1
InChIInChI=1S/C10H13ClN4O2/c11-10-13-4-7(8(12)14-10)15-3-1-2-6(5-15)9(16)17/h4,6H,1-3,5H2,(H,16,17)(H2,12,13,14)/t6-/m0/s1
InChIKeyONMUAVHGCYMYDD-LURJTMIESA-N
MW256.69 g/mol
LogP1.01
Rot. Bonds2

About (3S)-1-(4-amino-2-chloropyrimidin-5-yl)piperidine-3-carboxylic acid

(3S)-1-(4-amino-2-chloropyrimidin-5-yl)piperidine-3-carboxylic acid (PubChem CID 177244085) has the molecular formula C10H13ClN4O2 and a molecular weight of 256.69 g/mol. Its IUPAC name is (3S)-1-(4-amino-2-chloropyrimidin-5-yl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-1-(4-amino-2-chloropyrimidin-5-yl)piperidine-3-carboxylic acid
PubChem CID177244085
Molecular FormulaC10H13ClN4O2
Molecular Weight256.69 g/mol
Exact Mass256.07
IUPAC Name(3S)-1-(4-amino-2-chloropyrimidin-5-yl)piperidine-3-carboxylic acid
SMILESNc1nc(Cl)ncc1N1CCC[C@H](C(=O)O)C1
InChIInChI=1S/C10H13ClN4O2/c11-10-13-4-7(8(12)14-10)15-3-1-2-6(5-15)9(16)17/h4,6H,1-3,5H2,(H,16,17)(H2,12,13,14)/t6-/m0/s1
InChIKeyONMUAVHGCYMYDD-LURJTMIESA-N
XLogP1.01
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.69
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-(4-amino-2-chloropyrimidin-5-yl)piperidine-3-carboxylic acid?
The IUPAC name of (3S)-1-(4-amino-2-chloropyrimidin-5-yl)piperidine-3-carboxylic acid (CID 177244085) is (3S)-1-(4-amino-2-chloropyrimidin-5-yl)piperidine-3-carboxylic acid.
What is the SMILES notation for (3S)-1-(4-amino-2-chloropyrimidin-5-yl)piperidine-3-carboxylic acid?
The canonical SMILES for (3S)-1-(4-amino-2-chloropyrimidin-5-yl)piperidine-3-carboxylic acid is Nc1nc(Cl)ncc1N1CCC[C@H](C(=O)O)C1.
What is the InChIKey of (3S)-1-(4-amino-2-chloropyrimidin-5-yl)piperidine-3-carboxylic acid?
The InChIKey is ONMUAVHGCYMYDD-LURJTMIESA-N. The full InChI is InChI=1S/C10H13ClN4O2/c11-10-13-4-7(8(12)14-10)15-3-1-2-6(5-15)9(16)17/h4,6H,1-3,5H2,(H,16,17)(H2,12,13,14)/t6-/m0/s1.
What are the key properties of (3S)-1-(4-amino-2-chloropyrimidin-5-yl)piperidine-3-carboxylic acid?
(3S)-1-(4-amino-2-chloropyrimidin-5-yl)piperidine-3-carboxylic acid has a molecular weight of 256.69 g/mol, XLogP of 1.01, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(4-amino-2-chloropyrimidin-5-yl)piperidine-3-carboxylic acid is sourced from PubChem (CID 177244085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).