2-[1-[2-(dimethylcarbamoylamino)ethylcarbamoyl]pyrrolidin-2-yl]acetic acid

C12H22N4O4 — CID 83114337

IUPAC2-[1-[2-(dimethylcarbamoylamino)ethylcarbamoyl]pyrrolidin-2-yl]acetic acid
SMILESCN(C)C(=O)NCCNC(=O)N1CCCC1CC(=O)O
InChIInChI=1S/C12H22N4O4/c1-15(2)11(19)13-5-6-14-12(20)16-7-3-4-9(16)8-10(17)18/h9H,3-8H2,1-2H3,(H,13,19)(H,14,20)(H,17,18)
InChIKeyUQZSYLLNZVFAHF-UHFFFAOYSA-N
MW286.33 g/mol
LogP-0.09
Rot. Bonds5

About 2-[1-[2-(dimethylcarbamoylamino)ethylcarbamoyl]pyrrolidin-2-yl]acetic acid

2-[1-[2-(dimethylcarbamoylamino)ethylcarbamoyl]pyrrolidin-2-yl]acetic acid (PubChem CID 83114337) has the molecular formula C12H22N4O4 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-[1-[2-(dimethylcarbamoylamino)ethylcarbamoyl]pyrrolidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-(dimethylcarbamoylamino)ethylcarbamoyl]pyrrolidin-2-yl]acetic acid
PubChem CID83114337
Molecular FormulaC12H22N4O4
Molecular Weight286.33 g/mol
Exact Mass286.16
IUPAC Name2-[1-[2-(dimethylcarbamoylamino)ethylcarbamoyl]pyrrolidin-2-yl]acetic acid
SMILESCN(C)C(=O)NCCNC(=O)N1CCCC1CC(=O)O
InChIInChI=1S/C12H22N4O4/c1-15(2)11(19)13-5-6-14-12(20)16-7-3-4-9(16)8-10(17)18/h9H,3-8H2,1-2H3,(H,13,19)(H,14,20)(H,17,18)
InChIKeyUQZSYLLNZVFAHF-UHFFFAOYSA-N
XLogP-0.09
TPSA101.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 5-0.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-[1-[2-(dimethylcarbamoylamino)ethylcarbamoyl]pyrrolidin-2-yl]acetic acid?
The IUPAC name of 2-[1-[2-(dimethylcarbamoylamino)ethylcarbamoyl]pyrrolidin-2-yl]acetic acid (CID 83114337) is 2-[1-[2-(dimethylcarbamoylamino)ethylcarbamoyl]pyrrolidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-[2-(dimethylcarbamoylamino)ethylcarbamoyl]pyrrolidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-[2-(dimethylcarbamoylamino)ethylcarbamoyl]pyrrolidin-2-yl]acetic acid is CN(C)C(=O)NCCNC(=O)N1CCCC1CC(=O)O.
What is the InChIKey of 2-[1-[2-(dimethylcarbamoylamino)ethylcarbamoyl]pyrrolidin-2-yl]acetic acid?
The InChIKey is UQZSYLLNZVFAHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O4/c1-15(2)11(19)13-5-6-14-12(20)16-7-3-4-9(16)8-10(17)18/h9H,3-8H2,1-2H3,(H,13,19)(H,14,20)(H,17,18).
What are the key properties of 2-[1-[2-(dimethylcarbamoylamino)ethylcarbamoyl]pyrrolidin-2-yl]acetic acid?
2-[1-[2-(dimethylcarbamoylamino)ethylcarbamoyl]pyrrolidin-2-yl]acetic acid has a molecular weight of 286.33 g/mol, XLogP of -0.09, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(dimethylcarbamoylamino)ethylcarbamoyl]pyrrolidin-2-yl]acetic acid is sourced from PubChem (CID 83114337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).