(2S)-2-aminopentanedioic acid;2,5-dihydro-1H-pyrrole

C9H16N2O4 — CID 67092969

IUPAC(2S)-2-aminopentanedioic acid;2,5-dihydro-1H-pyrrole
SMILESC1=CCNC1.N[C@@H](CCC(=O)O)C(=O)O
InChIInChI=1S/C5H9NO4.C4H7N/c6-3(5(9)10)1-2-4(7)8;1-2-4-5-3-1/h3H,1-2,6H2,(H,7,8)(H,9,10);1-2,5H,3-4H2/t3-;/m0./s1
InChIKeyPVADRZXUGCTKJX-DFWYDOINSA-N
MW216.24 g/mol
LogP-0.59
Rot. Bonds4

About (2S)-2-aminopentanedioic acid;2,5-dihydro-1H-pyrrole

(2S)-2-aminopentanedioic acid;2,5-dihydro-1H-pyrrole (PubChem CID 67092969) has the molecular formula C9H16N2O4 and a molecular weight of 216.24 g/mol. Its IUPAC name is (2S)-2-aminopentanedioic acid;2,5-dihydro-1H-pyrrole.

Molecular Properties

Compound Name(2S)-2-aminopentanedioic acid;2,5-dihydro-1H-pyrrole
PubChem CID67092969
Molecular FormulaC9H16N2O4
Molecular Weight216.24 g/mol
Exact Mass216.11
IUPAC Name(2S)-2-aminopentanedioic acid;2,5-dihydro-1H-pyrrole
SMILESC1=CCNC1.N[C@@H](CCC(=O)O)C(=O)O
InChIInChI=1S/C5H9NO4.C4H7N/c6-3(5(9)10)1-2-4(7)8;1-2-4-5-3-1/h3H,1-2,6H2,(H,7,8)(H,9,10);1-2,5H,3-4H2/t3-;/m0./s1
InChIKeyPVADRZXUGCTKJX-DFWYDOINSA-N
XLogP-0.59
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 5-0.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (2S)-2-aminopentanedioic acid;2,5-dihydro-1H-pyrrole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2-aminopentanedioic acid;2,5-dihydro-1H-pyrrole?
The IUPAC name of (2S)-2-aminopentanedioic acid;2,5-dihydro-1H-pyrrole (CID 67092969) is (2S)-2-aminopentanedioic acid;2,5-dihydro-1H-pyrrole.
What is the SMILES notation for (2S)-2-aminopentanedioic acid;2,5-dihydro-1H-pyrrole?
The canonical SMILES for (2S)-2-aminopentanedioic acid;2,5-dihydro-1H-pyrrole is C1=CCNC1.N[C@@H](CCC(=O)O)C(=O)O.
What is the InChIKey of (2S)-2-aminopentanedioic acid;2,5-dihydro-1H-pyrrole?
The InChIKey is PVADRZXUGCTKJX-DFWYDOINSA-N. The full InChI is InChI=1S/C5H9NO4.C4H7N/c6-3(5(9)10)1-2-4(7)8;1-2-4-5-3-1/h3H,1-2,6H2,(H,7,8)(H,9,10);1-2,5H,3-4H2/t3-;/m0./s1.
What are the key properties of (2S)-2-aminopentanedioic acid;2,5-dihydro-1H-pyrrole?
(2S)-2-aminopentanedioic acid;2,5-dihydro-1H-pyrrole has a molecular weight of 216.24 g/mol, XLogP of -0.59, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-aminopentanedioic acid;2,5-dihydro-1H-pyrrole is sourced from PubChem (CID 67092969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).