(3R)-3-acetamido-3-piperidin-1-ylpropanoic acid

C10H18N2O3 — CID 20697004

IUPAC(3R)-3-acetamido-3-piperidin-1-ylpropanoic acid
SMILESCC(=O)N[C@@H](CC(=O)O)N1CCCCC1
InChIInChI=1S/C10H18N2O3/c1-8(13)11-9(7-10(14)15)12-5-3-2-4-6-12/h9H,2-7H2,1H3,(H,11,13)(H,14,15)/t9-/m1/s1
InChIKeyUHNQKENZHDYQHH-SECBINFHSA-N
MW214.26 g/mol
LogP0.41
Rot. Bonds4

About (3R)-3-acetamido-3-piperidin-1-ylpropanoic acid

(3R)-3-acetamido-3-piperidin-1-ylpropanoic acid (PubChem CID 20697004) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is (3R)-3-acetamido-3-piperidin-1-ylpropanoic acid.

Molecular Properties

Compound Name(3R)-3-acetamido-3-piperidin-1-ylpropanoic acid
PubChem CID20697004
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name(3R)-3-acetamido-3-piperidin-1-ylpropanoic acid
SMILESCC(=O)N[C@@H](CC(=O)O)N1CCCCC1
InChIInChI=1S/C10H18N2O3/c1-8(13)11-9(7-10(14)15)12-5-3-2-4-6-12/h9H,2-7H2,1H3,(H,11,13)(H,14,15)/t9-/m1/s1
InChIKeyUHNQKENZHDYQHH-SECBINFHSA-N
XLogP0.41
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-acetamido-3-piperidin-1-ylpropanoic acid?
The IUPAC name of (3R)-3-acetamido-3-piperidin-1-ylpropanoic acid (CID 20697004) is (3R)-3-acetamido-3-piperidin-1-ylpropanoic acid.
What is the SMILES notation for (3R)-3-acetamido-3-piperidin-1-ylpropanoic acid?
The canonical SMILES for (3R)-3-acetamido-3-piperidin-1-ylpropanoic acid is CC(=O)N[C@@H](CC(=O)O)N1CCCCC1.
What is the InChIKey of (3R)-3-acetamido-3-piperidin-1-ylpropanoic acid?
The InChIKey is UHNQKENZHDYQHH-SECBINFHSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-8(13)11-9(7-10(14)15)12-5-3-2-4-6-12/h9H,2-7H2,1H3,(H,11,13)(H,14,15)/t9-/m1/s1.
What are the key properties of (3R)-3-acetamido-3-piperidin-1-ylpropanoic acid?
(3R)-3-acetamido-3-piperidin-1-ylpropanoic acid has a molecular weight of 214.26 g/mol, XLogP of 0.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-acetamido-3-piperidin-1-ylpropanoic acid is sourced from PubChem (CID 20697004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).