(3R)-3-amino-3-(2-piperidin-1-ylpyrimidin-5-yl)propanoic acid

C12H18N4O2 — CID 40801314

IUPAC(3R)-3-amino-3-(2-piperidin-1-ylpyrimidin-5-yl)propanoic acid
SMILESN[C@H](CC(=O)O)c1cnc(N2CCCCC2)nc1
InChIInChI=1S/C12H18N4O2/c13-10(6-11(17)18)9-7-14-12(15-8-9)16-4-2-1-3-5-16/h7-8,10H,1-6,13H2,(H,17,18)/t10-/m1/s1
InChIKeyDKXXHSPIDVBBOH-SNVBAGLBSA-N
MW250.30 g/mol
LogP0.94
Rot. Bonds4

About (3R)-3-amino-3-(2-piperidin-1-ylpyrimidin-5-yl)propanoic acid

(3R)-3-amino-3-(2-piperidin-1-ylpyrimidin-5-yl)propanoic acid (PubChem CID 40801314) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is (3R)-3-amino-3-(2-piperidin-1-ylpyrimidin-5-yl)propanoic acid.

Molecular Properties

Compound Name(3R)-3-amino-3-(2-piperidin-1-ylpyrimidin-5-yl)propanoic acid
PubChem CID40801314
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name(3R)-3-amino-3-(2-piperidin-1-ylpyrimidin-5-yl)propanoic acid
SMILESN[C@H](CC(=O)O)c1cnc(N2CCCCC2)nc1
InChIInChI=1S/C12H18N4O2/c13-10(6-11(17)18)9-7-14-12(15-8-9)16-4-2-1-3-5-16/h7-8,10H,1-6,13H2,(H,17,18)/t10-/m1/s1
InChIKeyDKXXHSPIDVBBOH-SNVBAGLBSA-N
XLogP0.94
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-3-(2-piperidin-1-ylpyrimidin-5-yl)propanoic acid?
The IUPAC name of (3R)-3-amino-3-(2-piperidin-1-ylpyrimidin-5-yl)propanoic acid (CID 40801314) is (3R)-3-amino-3-(2-piperidin-1-ylpyrimidin-5-yl)propanoic acid.
What is the SMILES notation for (3R)-3-amino-3-(2-piperidin-1-ylpyrimidin-5-yl)propanoic acid?
The canonical SMILES for (3R)-3-amino-3-(2-piperidin-1-ylpyrimidin-5-yl)propanoic acid is N[C@H](CC(=O)O)c1cnc(N2CCCCC2)nc1.
What is the InChIKey of (3R)-3-amino-3-(2-piperidin-1-ylpyrimidin-5-yl)propanoic acid?
The InChIKey is DKXXHSPIDVBBOH-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H18N4O2/c13-10(6-11(17)18)9-7-14-12(15-8-9)16-4-2-1-3-5-16/h7-8,10H,1-6,13H2,(H,17,18)/t10-/m1/s1.
What are the key properties of (3R)-3-amino-3-(2-piperidin-1-ylpyrimidin-5-yl)propanoic acid?
(3R)-3-amino-3-(2-piperidin-1-ylpyrimidin-5-yl)propanoic acid has a molecular weight of 250.30 g/mol, XLogP of 0.94, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-3-(2-piperidin-1-ylpyrimidin-5-yl)propanoic acid is sourced from PubChem (CID 40801314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).