3-aminopyrrolidine-1,3-dicarboxylic acid

C6H10N2O4 — CID 69187768

IUPAC3-aminopyrrolidine-1,3-dicarboxylic acid
SMILESNC1(C(=O)O)CCN(C(=O)O)C1
InChIInChI=1S/C6H10N2O4/c7-6(4(9)10)1-2-8(3-6)5(11)12/h1-3,7H2,(H,9,10)(H,11,12)
InChIKeyXRBGASJCTSMCEM-UHFFFAOYSA-N
MW174.16 g/mol
LogP-0.85
Rot. Bonds1

About 3-aminopyrrolidine-1,3-dicarboxylic acid

3-aminopyrrolidine-1,3-dicarboxylic acid (PubChem CID 69187768) has the molecular formula C6H10N2O4 and a molecular weight of 174.16 g/mol. Its IUPAC name is 3-aminopyrrolidine-1,3-dicarboxylic acid.

Molecular Properties

Compound Name3-aminopyrrolidine-1,3-dicarboxylic acid
PubChem CID69187768
Molecular FormulaC6H10N2O4
Molecular Weight174.16 g/mol
Exact Mass174.06
IUPAC Name3-aminopyrrolidine-1,3-dicarboxylic acid
SMILESNC1(C(=O)O)CCN(C(=O)O)C1
InChIInChI=1S/C6H10N2O4/c7-6(4(9)10)1-2-8(3-6)5(11)12/h1-3,7H2,(H,9,10)(H,11,12)
InChIKeyXRBGASJCTSMCEM-UHFFFAOYSA-N
XLogP-0.85
TPSA103.86 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.16
LogP ≤ 5-0.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-aminopyrrolidine-1,3-dicarboxylic acid?
The IUPAC name of 3-aminopyrrolidine-1,3-dicarboxylic acid (CID 69187768) is 3-aminopyrrolidine-1,3-dicarboxylic acid.
What is the SMILES notation for 3-aminopyrrolidine-1,3-dicarboxylic acid?
The canonical SMILES for 3-aminopyrrolidine-1,3-dicarboxylic acid is NC1(C(=O)O)CCN(C(=O)O)C1.
What is the InChIKey of 3-aminopyrrolidine-1,3-dicarboxylic acid?
The InChIKey is XRBGASJCTSMCEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O4/c7-6(4(9)10)1-2-8(3-6)5(11)12/h1-3,7H2,(H,9,10)(H,11,12).
What are the key properties of 3-aminopyrrolidine-1,3-dicarboxylic acid?
3-aminopyrrolidine-1,3-dicarboxylic acid has a molecular weight of 174.16 g/mol, XLogP of -0.85, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminopyrrolidine-1,3-dicarboxylic acid is sourced from PubChem (CID 69187768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).