2-[2-[[3-(dimethylamino)pyrrolidine-1-carbonyl]amino]-2-oxoethoxy]acetic acid

C11H19N3O5 — CID 63536517

IUPAC2-[2-[[3-(dimethylamino)pyrrolidine-1-carbonyl]amino]-2-oxoethoxy]acetic acid
SMILESCN(C)C1CCN(C(=O)NC(=O)COCC(=O)O)C1
InChIInChI=1S/C11H19N3O5/c1-13(2)8-3-4-14(5-8)11(18)12-9(15)6-19-7-10(16)17/h8H,3-7H2,1-2H3,(H,16,17)(H,12,15,18)
InChIKeyPQMNPTFFNMVVSJ-UHFFFAOYSA-N
MW273.29 g/mol
LogP-1.04
Rot. Bonds5

About 2-[2-[[3-(dimethylamino)pyrrolidine-1-carbonyl]amino]-2-oxoethoxy]acetic acid

2-[2-[[3-(dimethylamino)pyrrolidine-1-carbonyl]amino]-2-oxoethoxy]acetic acid (PubChem CID 63536517) has the molecular formula C11H19N3O5 and a molecular weight of 273.29 g/mol. Its IUPAC name is 2-[2-[[3-(dimethylamino)pyrrolidine-1-carbonyl]amino]-2-oxoethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[[3-(dimethylamino)pyrrolidine-1-carbonyl]amino]-2-oxoethoxy]acetic acid
PubChem CID63536517
Molecular FormulaC11H19N3O5
Molecular Weight273.29 g/mol
Exact Mass273.13
IUPAC Name2-[2-[[3-(dimethylamino)pyrrolidine-1-carbonyl]amino]-2-oxoethoxy]acetic acid
SMILESCN(C)C1CCN(C(=O)NC(=O)COCC(=O)O)C1
InChIInChI=1S/C11H19N3O5/c1-13(2)8-3-4-14(5-8)11(18)12-9(15)6-19-7-10(16)17/h8H,3-7H2,1-2H3,(H,16,17)(H,12,15,18)
InChIKeyPQMNPTFFNMVVSJ-UHFFFAOYSA-N
XLogP-1.04
TPSA99.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 5-1.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[[3-(dimethylamino)pyrrolidine-1-carbonyl]amino]-2-oxoethoxy]acetic acid?
The IUPAC name of 2-[2-[[3-(dimethylamino)pyrrolidine-1-carbonyl]amino]-2-oxoethoxy]acetic acid (CID 63536517) is 2-[2-[[3-(dimethylamino)pyrrolidine-1-carbonyl]amino]-2-oxoethoxy]acetic acid.
What is the SMILES notation for 2-[2-[[3-(dimethylamino)pyrrolidine-1-carbonyl]amino]-2-oxoethoxy]acetic acid?
The canonical SMILES for 2-[2-[[3-(dimethylamino)pyrrolidine-1-carbonyl]amino]-2-oxoethoxy]acetic acid is CN(C)C1CCN(C(=O)NC(=O)COCC(=O)O)C1.
What is the InChIKey of 2-[2-[[3-(dimethylamino)pyrrolidine-1-carbonyl]amino]-2-oxoethoxy]acetic acid?
The InChIKey is PQMNPTFFNMVVSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O5/c1-13(2)8-3-4-14(5-8)11(18)12-9(15)6-19-7-10(16)17/h8H,3-7H2,1-2H3,(H,16,17)(H,12,15,18).
What are the key properties of 2-[2-[[3-(dimethylamino)pyrrolidine-1-carbonyl]amino]-2-oxoethoxy]acetic acid?
2-[2-[[3-(dimethylamino)pyrrolidine-1-carbonyl]amino]-2-oxoethoxy]acetic acid has a molecular weight of 273.29 g/mol, XLogP of -1.04, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[3-(dimethylamino)pyrrolidine-1-carbonyl]amino]-2-oxoethoxy]acetic acid is sourced from PubChem (CID 63536517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).