2-[(2-amino-2-oxoethyl)-(3,4-dimethylpyrrolidine-1-carbonyl)amino]acetic acid

C11H19N3O4 — CID 107438970

IUPAC2-[(2-amino-2-oxoethyl)-(3,4-dimethylpyrrolidine-1-carbonyl)amino]acetic acid
SMILESCC1CN(C(=O)N(CC(N)=O)CC(=O)O)CC1C
InChIInChI=1S/C11H19N3O4/c1-7-3-13(4-8(7)2)11(18)14(5-9(12)15)6-10(16)17/h7-8H,3-6H2,1-2H3,(H2,12,15)(H,16,17)
InChIKeyWDSQYCIVUCGPEO-UHFFFAOYSA-N
MW257.29 g/mol
LogP-0.43
Rot. Bonds4

About 2-[(2-amino-2-oxoethyl)-(3,4-dimethylpyrrolidine-1-carbonyl)amino]acetic acid

2-[(2-amino-2-oxoethyl)-(3,4-dimethylpyrrolidine-1-carbonyl)amino]acetic acid (PubChem CID 107438970) has the molecular formula C11H19N3O4 and a molecular weight of 257.29 g/mol. Its IUPAC name is 2-[(2-amino-2-oxoethyl)-(3,4-dimethylpyrrolidine-1-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2-amino-2-oxoethyl)-(3,4-dimethylpyrrolidine-1-carbonyl)amino]acetic acid
PubChem CID107438970
Molecular FormulaC11H19N3O4
Molecular Weight257.29 g/mol
Exact Mass257.14
IUPAC Name2-[(2-amino-2-oxoethyl)-(3,4-dimethylpyrrolidine-1-carbonyl)amino]acetic acid
SMILESCC1CN(C(=O)N(CC(N)=O)CC(=O)O)CC1C
InChIInChI=1S/C11H19N3O4/c1-7-3-13(4-8(7)2)11(18)14(5-9(12)15)6-10(16)17/h7-8H,3-6H2,1-2H3,(H2,12,15)(H,16,17)
InChIKeyWDSQYCIVUCGPEO-UHFFFAOYSA-N
XLogP-0.43
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 ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-oxoethyl)-(3,4-dimethylpyrrolidine-1-carbonyl)amino]acetic acid?
The IUPAC name of 2-[(2-amino-2-oxoethyl)-(3,4-dimethylpyrrolidine-1-carbonyl)amino]acetic acid (CID 107438970) is 2-[(2-amino-2-oxoethyl)-(3,4-dimethylpyrrolidine-1-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(2-amino-2-oxoethyl)-(3,4-dimethylpyrrolidine-1-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[(2-amino-2-oxoethyl)-(3,4-dimethylpyrrolidine-1-carbonyl)amino]acetic acid is CC1CN(C(=O)N(CC(N)=O)CC(=O)O)CC1C.
What is the InChIKey of 2-[(2-amino-2-oxoethyl)-(3,4-dimethylpyrrolidine-1-carbonyl)amino]acetic acid?
The InChIKey is WDSQYCIVUCGPEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O4/c1-7-3-13(4-8(7)2)11(18)14(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)-(3,4-dimethylpyrrolidine-1-carbonyl)amino]acetic acid?
2-[(2-amino-2-oxoethyl)-(3,4-dimethylpyrrolidine-1-carbonyl)amino]acetic acid has a molecular weight of 257.29 g/mol, XLogP of -0.43, 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)-(3,4-dimethylpyrrolidine-1-carbonyl)amino]acetic acid is sourced from PubChem (CID 107438970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).