(3R)-3-aminopiperidine-1,3-dicarboxylic acid

C7H12N2O4 — CID 91081568

IUPAC(3R)-3-aminopiperidine-1,3-dicarboxylic acid
SMILESN[C@]1(C(=O)O)CCCN(C(=O)O)C1
InChIInChI=1S/C7H12N2O4/c8-7(5(10)11)2-1-3-9(4-7)6(12)13/h1-4,8H2,(H,10,11)(H,12,13)/t7-/m1/s1
InChIKeyKMPILUJZGHTMGC-SSDOTTSWSA-N
MW188.18 g/mol
LogP-0.46
Rot. Bonds1

About (3R)-3-aminopiperidine-1,3-dicarboxylic acid

(3R)-3-aminopiperidine-1,3-dicarboxylic acid (PubChem CID 91081568) has the molecular formula C7H12N2O4 and a molecular weight of 188.18 g/mol. Its IUPAC name is (3R)-3-aminopiperidine-1,3-dicarboxylic acid.

Molecular Properties

Compound Name(3R)-3-aminopiperidine-1,3-dicarboxylic acid
PubChem CID91081568
Molecular FormulaC7H12N2O4
Molecular Weight188.18 g/mol
Exact Mass188.08
IUPAC Name(3R)-3-aminopiperidine-1,3-dicarboxylic acid
SMILESN[C@]1(C(=O)O)CCCN(C(=O)O)C1
InChIInChI=1S/C7H12N2O4/c8-7(5(10)11)2-1-3-9(4-7)6(12)13/h1-4,8H2,(H,10,11)(H,12,13)/t7-/m1/s1
InChIKeyKMPILUJZGHTMGC-SSDOTTSWSA-N
XLogP-0.46
TPSA103.86 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.18
LogP ≤ 5-0.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-aminopiperidine-1,3-dicarboxylic acid?
The IUPAC name of (3R)-3-aminopiperidine-1,3-dicarboxylic acid (CID 91081568) is (3R)-3-aminopiperidine-1,3-dicarboxylic acid.
What is the SMILES notation for (3R)-3-aminopiperidine-1,3-dicarboxylic acid?
The canonical SMILES for (3R)-3-aminopiperidine-1,3-dicarboxylic acid is N[C@]1(C(=O)O)CCCN(C(=O)O)C1.
What is the InChIKey of (3R)-3-aminopiperidine-1,3-dicarboxylic acid?
The InChIKey is KMPILUJZGHTMGC-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H12N2O4/c8-7(5(10)11)2-1-3-9(4-7)6(12)13/h1-4,8H2,(H,10,11)(H,12,13)/t7-/m1/s1.
What are the key properties of (3R)-3-aminopiperidine-1,3-dicarboxylic acid?
(3R)-3-aminopiperidine-1,3-dicarboxylic acid has a molecular weight of 188.18 g/mol, XLogP of -0.46, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-aminopiperidine-1,3-dicarboxylic acid is sourced from PubChem (CID 91081568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).