2-[(2-amino-2-oxoethyl)-(2,4-dimethylpyrrolidine-1-carbonyl)amino]acetic acid

C11H19N3O4 — CID 107439357

IUPAC2-[(2-amino-2-oxoethyl)-(2,4-dimethylpyrrolidine-1-carbonyl)amino]acetic acid
SMILESCC1CC(C)N(C(=O)N(CC(N)=O)CC(=O)O)C1
InChIInChI=1S/C11H19N3O4/c1-7-3-8(2)14(4-7)11(18)13(5-9(12)15)6-10(16)17/h7-8H,3-6H2,1-2H3,(H2,12,15)(H,16,17)
InChIKeyVHLXPGOHCWZIQM-UHFFFAOYSA-N
MW257.29 g/mol
LogP-0.29
Rot. Bonds4

About 2-[(2-amino-2-oxoethyl)-(2,4-dimethylpyrrolidine-1-carbonyl)amino]acetic acid

2-[(2-amino-2-oxoethyl)-(2,4-dimethylpyrrolidine-1-carbonyl)amino]acetic acid (PubChem CID 107439357) has the molecular formula C11H19N3O4 and a molecular weight of 257.29 g/mol. Its IUPAC name is 2-[(2-amino-2-oxoethyl)-(2,4-dimethylpyrrolidine-1-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2-amino-2-oxoethyl)-(2,4-dimethylpyrrolidine-1-carbonyl)amino]acetic acid
PubChem CID107439357
Molecular FormulaC11H19N3O4
Molecular Weight257.29 g/mol
Exact Mass257.14
IUPAC Name2-[(2-amino-2-oxoethyl)-(2,4-dimethylpyrrolidine-1-carbonyl)amino]acetic acid
SMILESCC1CC(C)N(C(=O)N(CC(N)=O)CC(=O)O)C1
InChIInChI=1S/C11H19N3O4/c1-7-3-8(2)14(4-7)11(18)13(5-9(12)15)6-10(16)17/h7-8H,3-6H2,1-2H3,(H2,12,15)(H,16,17)
InChIKeyVHLXPGOHCWZIQM-UHFFFAOYSA-N
XLogP-0.29
TPSA103.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-amino-2-oxoethyl)-(3,4-dimethylpyrrolidine-1-carbonyl)amino]acetic acid
CID 107438970
2-[(2-amino-2-oxoethyl)-(2-azabicyclo[2.2.1]heptane-2-carbonyl)amino]acetic acid
CID 107438359
2-[(2,4-dimethylpiperidine-1-carbonyl)-ethylamino]acetic acid
CID 62331670
2-[(2,4-dimethylpiperidine-1-carbonyl)-(2-methoxyethyl)amino]acetic acid
CID 79272643
N,N-bis(2-amino-2-oxoethyl)-3-methylpiperidine-1-carboxamide
CID 116655745
2-[(2-amino-2-oxoethyl)-[2-(2-hydroxyethyl)piperidine-1-carbonyl]amino]acetic acid
CID 107437737
2-[(2-amino-2-oxoethyl)-(4-tert-butylpiperidine-1-carbonyl)amino]acetic acid
CID 107438598
2-[(2-amino-2-oxoethyl)-(4-propan-2-ylpiperazine-1-carbonyl)amino]acetic acid
CID 107438046
(2S,4R)-2,4-dimethylpyrrolidine-1-carbonyl chloride
CID 53471285
2-[(2-amino-2-oxoethyl)-(4-tert-butylpiperazine-1-carbonyl)amino]acetic acid
CID 107438191
2-[(2-amino-2-oxoethyl)-(morpholine-4-carbonyl)amino]acetic acid
CID 107435191
CID 23519376
CID 23519376

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-oxoethyl)-(2,4-dimethylpyrrolidine-1-carbonyl)amino]acetic acid?
The IUPAC name of 2-[(2-amino-2-oxoethyl)-(2,4-dimethylpyrrolidine-1-carbonyl)amino]acetic acid (CID 107439357) is 2-[(2-amino-2-oxoethyl)-(2,4-dimethylpyrrolidine-1-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(2-amino-2-oxoethyl)-(2,4-dimethylpyrrolidine-1-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[(2-amino-2-oxoethyl)-(2,4-dimethylpyrrolidine-1-carbonyl)amino]acetic acid is CC1CC(C)N(C(=O)N(CC(N)=O)CC(=O)O)C1.
What is the InChIKey of 2-[(2-amino-2-oxoethyl)-(2,4-dimethylpyrrolidine-1-carbonyl)amino]acetic acid?
The InChIKey is VHLXPGOHCWZIQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O4/c1-7-3-8(2)14(4-7)11(18)13(5-9(12)15)6-10(16)17/h7-8H,3-6H2,1-2H3,(H2,12,15)(H,16,17).
What are the key properties of 2-[(2-amino-2-oxoethyl)-(2,4-dimethylpyrrolidine-1-carbonyl)amino]acetic acid?
2-[(2-amino-2-oxoethyl)-(2,4-dimethylpyrrolidine-1-carbonyl)amino]acetic acid has a molecular weight of 257.29 g/mol, XLogP of -0.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-oxoethyl)-(2,4-dimethylpyrrolidine-1-carbonyl)amino]acetic acid is sourced from PubChem (CID 107439357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).