(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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Related Compounds

2-[2-(2,5-dioxopyrrol-1-yl)ethylamino]propanoic acid
CID 175693527
2-(2-piperidin-1-ylethylamino)propanoic acid
CID 43467348
1-[2-[[(1S)-2,2-dimethyl-1-phenylpropyl]amino]ethyl]pyrrolidine-2,5-dione
CID 97238227
2-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]-4-methylpentanoic acid
CID 43170163
2-[(2,5-dioxopyrrolidin-1-yl)methyl]-3-methylbutanoic acid
CID 65221997
(2R)-2-(3-methylbutylamino)propanoic acid
CID 20848021
2-(3-methylbutylamino)propanoic acid
CID 16769163
(2S)-2-(2-fluoroethylamino)propanoic acid
CID 83192654
2-[3-(4-methylpiperazin-1-yl)propylamino]propanoic acid
CID 66172084
2-(3-piperidin-1-ylpropylamino)propanoic acid
CID 66172280
1-[3-(propan-2-ylamino)propyl]piperidine-2,6-dione
CID 61387967
3-[2-(2,5-dioxopyrrolidin-1-yl)ethyl-ethylamino]-2-methylpropanoic acid
CID 55123109

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).