2-[2-(dimethylamino)ethyl-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)amino]acetic acid

C13H23N3O4 — CID 107426067

IUPAC2-[2-(dimethylamino)ethyl-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)amino]acetic acid
SMILESCC(C)N1C(=O)CC(N(CCN(C)C)CC(=O)O)C1=O
InChIInChI=1S/C13H23N3O4/c1-9(2)16-11(17)7-10(13(16)20)15(8-12(18)19)6-5-14(3)4/h9-10H,5-8H2,1-4H3,(H,18,19)
InChIKeyJCOSRGBAUKRPGR-UHFFFAOYSA-N
MW285.34 g/mol
LogP-0.53
Rot. Bonds7

About 2-[2-(dimethylamino)ethyl-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)amino]acetic acid

2-[2-(dimethylamino)ethyl-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)amino]acetic acid (PubChem CID 107426067) has the molecular formula C13H23N3O4 and a molecular weight of 285.34 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)amino]acetic acid
PubChem CID107426067
Molecular FormulaC13H23N3O4
Molecular Weight285.34 g/mol
Exact Mass285.17
IUPAC Name2-[2-(dimethylamino)ethyl-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)amino]acetic acid
SMILESCC(C)N1C(=O)CC(N(CCN(C)C)CC(=O)O)C1=O
InChIInChI=1S/C13H23N3O4/c1-9(2)16-11(17)7-10(13(16)20)15(8-12(18)19)6-5-14(3)4/h9-10H,5-8H2,1-4H3,(H,18,19)
InChIKeyJCOSRGBAUKRPGR-UHFFFAOYSA-N
XLogP-0.53
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 5-0.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)-propylamino]acetic acid
CID 61008700
2-[(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)-ethylamino]acetic acid
CID 61011616
2-[(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)-propan-2-ylamino]acetic acid
CID 60840305
2-[butan-2-yl-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)amino]acetic acid
CID 60834519
2-[(2,5-dioxo-1-pentan-3-ylpyrrolidin-3-yl)-(2-methylpropyl)amino]acetic acid
CID 63066080
2-[2-(dimethylamino)ethyl-(1-methyl-2-oxopyrrolidin-3-yl)amino]acetic acid
CID 107425395
3-[cyclopropyl-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)amino]propanoic acid
CID 54925654
2-[(2-amino-2-oxoethyl)-(2,5-dioxo-1-pentan-3-ylpyrrolidin-3-yl)amino]acetic acid
CID 107440384
2-[(1-methyl-2,5-dioxopyrrolidin-3-yl)-prop-2-ynylamino]acetic acid
CID 79283874
2-[(1-butan-2-yl-2,5-dioxopyrrolidin-3-yl)-cyclopentylamino]acetic acid
CID 60834441
2-[2-(dimethylamino)ethyl-(4-propan-2-ylcycloheptyl)amino]acetic acid
CID 107426098
2-[2-(dimethylamino)ethyl-(1-methylazepan-4-yl)amino]acetic acid
CID 107426097

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyl-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)amino]acetic acid?
The IUPAC name of 2-[2-(dimethylamino)ethyl-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)amino]acetic acid (CID 107426067) is 2-[2-(dimethylamino)ethyl-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)amino]acetic acid.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)amino]acetic acid?
The canonical SMILES for 2-[2-(dimethylamino)ethyl-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)amino]acetic acid is CC(C)N1C(=O)CC(N(CCN(C)C)CC(=O)O)C1=O.
What is the InChIKey of 2-[2-(dimethylamino)ethyl-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)amino]acetic acid?
The InChIKey is JCOSRGBAUKRPGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O4/c1-9(2)16-11(17)7-10(13(16)20)15(8-12(18)19)6-5-14(3)4/h9-10H,5-8H2,1-4H3,(H,18,19).
What are the key properties of 2-[2-(dimethylamino)ethyl-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)amino]acetic acid?
2-[2-(dimethylamino)ethyl-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)amino]acetic acid has a molecular weight of 285.34 g/mol, XLogP of -0.53, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)amino]acetic acid is sourced from PubChem (CID 107426067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).