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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl]pyrrolidin-2-yl]acetic acid
CID 62978547
2-[1-[3-(methylamino)propylcarbamoyl]pyrrolidin-2-yl]acetic acid
CID 61404883
2-[1-[2-[di(propan-2-yl)amino]ethylcarbamoyl]pyrrolidin-2-yl]acetic acid
CID 61372331
2-[(2R)-1-[2-(dimethylcarbamoylamino)acetyl]piperidin-2-yl]acetic acid
CID 126443322
2-[1-(butylcarbamoyl)piperidin-2-yl]acetic acid
CID 61010692
2-[1-[2-(dimethylcarbamoylamino)ethylcarbamoyl]piperidin-3-yl]acetic acid
CID 83113670
2-[1-[(2-methoxy-2-oxoethyl)carbamoyl]pyrrolidin-2-yl]acetic acid
CID 61371746
2-[1-[(1-methylpyrrolidin-2-yl)methylcarbamoyl]pyrrolidin-2-yl]acetic acid
CID 114137800
2-[1-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoyl]pyrrolidin-2-yl]acetic acid
CID 79350157
2-[1-(2-cyclohexylethylcarbamoyl)piperidin-2-yl]acetic acid
CID 61206283
2-[1-(prop-2-enylcarbamoyl)pyrrolidin-2-yl]acetic acid
CID 61372720
2-[1-(3-cyclopentylpropylcarbamoyl)piperidin-2-yl]acetic acid
CID 106005378

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).