(2R)-2-[2-(2,5-dioxopyrrolidin-1-yl)ethylamino]propanoic acid

C9H14N2O4 — CID 83195068

IUPAC(2R)-2-[2-(2,5-dioxopyrrolidin-1-yl)ethylamino]propanoic acid
SMILESC[C@@H](NCCN1C(=O)CCC1=O)C(=O)O
InChIInChI=1S/C9H14N2O4/c1-6(9(14)15)10-4-5-11-7(12)2-3-8(11)13/h6,10H,2-5H2,1H3,(H,14,15)/t6-/m1/s1
InChIKeyGMXAODJWRUSUCB-ZCFIWIBFSA-N
MW214.22 g/mol
LogP-0.80
Rot. Bonds5

About (2R)-2-[2-(2,5-dioxopyrrolidin-1-yl)ethylamino]propanoic acid

(2R)-2-[2-(2,5-dioxopyrrolidin-1-yl)ethylamino]propanoic acid (PubChem CID 83195068) has the molecular formula C9H14N2O4 and a molecular weight of 214.22 g/mol. Its IUPAC name is (2R)-2-[2-(2,5-dioxopyrrolidin-1-yl)ethylamino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[2-(2,5-dioxopyrrolidin-1-yl)ethylamino]propanoic acid
PubChem CID83195068
Molecular FormulaC9H14N2O4
Molecular Weight214.22 g/mol
Exact Mass214.10
IUPAC Name(2R)-2-[2-(2,5-dioxopyrrolidin-1-yl)ethylamino]propanoic acid
SMILESC[C@@H](NCCN1C(=O)CCC1=O)C(=O)O
InChIInChI=1S/C9H14N2O4/c1-6(9(14)15)10-4-5-11-7(12)2-3-8(11)13/h6,10H,2-5H2,1H3,(H,14,15)/t6-/m1/s1
InChIKeyGMXAODJWRUSUCB-ZCFIWIBFSA-N
XLogP-0.80
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 5-0.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2-(2,5-dioxopyrrolidin-1-yl)ethylamino]propanoic acid?
The IUPAC name of (2R)-2-[2-(2,5-dioxopyrrolidin-1-yl)ethylamino]propanoic acid (CID 83195068) is (2R)-2-[2-(2,5-dioxopyrrolidin-1-yl)ethylamino]propanoic acid.
What is the SMILES notation for (2R)-2-[2-(2,5-dioxopyrrolidin-1-yl)ethylamino]propanoic acid?
The canonical SMILES for (2R)-2-[2-(2,5-dioxopyrrolidin-1-yl)ethylamino]propanoic acid is C[C@@H](NCCN1C(=O)CCC1=O)C(=O)O.
What is the InChIKey of (2R)-2-[2-(2,5-dioxopyrrolidin-1-yl)ethylamino]propanoic acid?
The InChIKey is GMXAODJWRUSUCB-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H14N2O4/c1-6(9(14)15)10-4-5-11-7(12)2-3-8(11)13/h6,10H,2-5H2,1H3,(H,14,15)/t6-/m1/s1.
What are the key properties of (2R)-2-[2-(2,5-dioxopyrrolidin-1-yl)ethylamino]propanoic acid?
(2R)-2-[2-(2,5-dioxopyrrolidin-1-yl)ethylamino]propanoic acid has a molecular weight of 214.22 g/mol, XLogP of -0.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[2-(2,5-dioxopyrrolidin-1-yl)ethylamino]propanoic acid is sourced from PubChem (CID 83195068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).