2-[2-[[2-(methylcarbamoyl)pyrrolidine-1-carbonyl]amino]ethoxy]acetic acid

C11H19N3O5 — CID 79464214

IUPAC2-[2-[[2-(methylcarbamoyl)pyrrolidine-1-carbonyl]amino]ethoxy]acetic acid
SMILESCNC(=O)C1CCCN1C(=O)NCCOCC(=O)O
InChIInChI=1S/C11H19N3O5/c1-12-10(17)8-3-2-5-14(8)11(18)13-4-6-19-7-9(15)16/h8H,2-7H2,1H3,(H,12,17)(H,13,18)(H,15,16)
InChIKeyPPRFELXJELDVKG-UHFFFAOYSA-N
MW273.29 g/mol
LogP-0.99
Rot. Bonds6

About 2-[2-[[2-(methylcarbamoyl)pyrrolidine-1-carbonyl]amino]ethoxy]acetic acid

2-[2-[[2-(methylcarbamoyl)pyrrolidine-1-carbonyl]amino]ethoxy]acetic acid (PubChem CID 79464214) has the molecular formula C11H19N3O5 and a molecular weight of 273.29 g/mol. Its IUPAC name is 2-[2-[[2-(methylcarbamoyl)pyrrolidine-1-carbonyl]amino]ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[[2-(methylcarbamoyl)pyrrolidine-1-carbonyl]amino]ethoxy]acetic acid
PubChem CID79464214
Molecular FormulaC11H19N3O5
Molecular Weight273.29 g/mol
Exact Mass273.13
IUPAC Name2-[2-[[2-(methylcarbamoyl)pyrrolidine-1-carbonyl]amino]ethoxy]acetic acid
SMILESCNC(=O)C1CCCN1C(=O)NCCOCC(=O)O
InChIInChI=1S/C11H19N3O5/c1-12-10(17)8-3-2-5-14(8)11(18)13-4-6-19-7-9(15)16/h8H,2-7H2,1H3,(H,12,17)(H,13,18)(H,15,16)
InChIKeyPPRFELXJELDVKG-UHFFFAOYSA-N
XLogP-0.99
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 5-0.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[[2-(methylcarbamoyl)pyrrolidine-1-carbonyl]amino]ethoxy]acetic acid?
The IUPAC name of 2-[2-[[2-(methylcarbamoyl)pyrrolidine-1-carbonyl]amino]ethoxy]acetic acid (CID 79464214) is 2-[2-[[2-(methylcarbamoyl)pyrrolidine-1-carbonyl]amino]ethoxy]acetic acid.
What is the SMILES notation for 2-[2-[[2-(methylcarbamoyl)pyrrolidine-1-carbonyl]amino]ethoxy]acetic acid?
The canonical SMILES for 2-[2-[[2-(methylcarbamoyl)pyrrolidine-1-carbonyl]amino]ethoxy]acetic acid is CNC(=O)C1CCCN1C(=O)NCCOCC(=O)O.
What is the InChIKey of 2-[2-[[2-(methylcarbamoyl)pyrrolidine-1-carbonyl]amino]ethoxy]acetic acid?
The InChIKey is PPRFELXJELDVKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O5/c1-12-10(17)8-3-2-5-14(8)11(18)13-4-6-19-7-9(15)16/h8H,2-7H2,1H3,(H,12,17)(H,13,18)(H,15,16).
What are the key properties of 2-[2-[[2-(methylcarbamoyl)pyrrolidine-1-carbonyl]amino]ethoxy]acetic acid?
2-[2-[[2-(methylcarbamoyl)pyrrolidine-1-carbonyl]amino]ethoxy]acetic acid has a molecular weight of 273.29 g/mol, XLogP of -0.99, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[2-(methylcarbamoyl)pyrrolidine-1-carbonyl]amino]ethoxy]acetic acid is sourced from PubChem (CID 79464214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).