2-[1-[(1-methylpyrrolidin-2-yl)methylcarbamoyl]pyrrolidin-2-yl]acetic acid

C13H23N3O3 — CID 114137800

IUPAC2-[1-[(1-methylpyrrolidin-2-yl)methylcarbamoyl]pyrrolidin-2-yl]acetic acid
SMILESCN1CCCC1CNC(=O)N1CCCC1CC(=O)O
InChIInChI=1S/C13H23N3O3/c1-15-6-2-5-11(15)9-14-13(19)16-7-3-4-10(16)8-12(17)18/h10-11H,2-9H2,1H3,(H,14,19)(H,17,18)
InChIKeyNYUKXMGJJPRUCO-UHFFFAOYSA-N
MW269.34 g/mol
LogP0.73
Rot. Bonds4

About 2-[1-[(1-methylpyrrolidin-2-yl)methylcarbamoyl]pyrrolidin-2-yl]acetic acid

2-[1-[(1-methylpyrrolidin-2-yl)methylcarbamoyl]pyrrolidin-2-yl]acetic acid (PubChem CID 114137800) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is 2-[1-[(1-methylpyrrolidin-2-yl)methylcarbamoyl]pyrrolidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[(1-methylpyrrolidin-2-yl)methylcarbamoyl]pyrrolidin-2-yl]acetic acid
PubChem CID114137800
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Name2-[1-[(1-methylpyrrolidin-2-yl)methylcarbamoyl]pyrrolidin-2-yl]acetic acid
SMILESCN1CCCC1CNC(=O)N1CCCC1CC(=O)O
InChIInChI=1S/C13H23N3O3/c1-15-6-2-5-11(15)9-14-13(19)16-7-3-4-10(16)8-12(17)18/h10-11H,2-9H2,1H3,(H,14,19)(H,17,18)
InChIKeyNYUKXMGJJPRUCO-UHFFFAOYSA-N
XLogP0.73
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[1-[(1-methylpyrrolidin-2-yl)methylcarbamoyl]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

3-[1-[(1-methylpyrrolidin-2-yl)methylcarbamoyl]piperidin-2-yl]propanoic acid
CID 106021300
2-[1-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoyl]pyrrolidin-2-yl]acetic acid
CID 79350157
2-[1-(cyclobutylmethylcarbamoyl)piperidin-2-yl]acetic acid
CID 61197423
2-[1-(2-bicyclo[2.2.1]heptanylmethylcarbamoyl)pyrrolidin-2-yl]acetic acid
CID 63683765
2-[1-[(2-methyloxolan-3-yl)methylcarbamoyl]pyrrolidin-2-yl]acetic acid
CID 114106684
2-[1-[(2-methoxy-2-oxoethyl)carbamoyl]pyrrolidin-2-yl]acetic acid
CID 61371746
2-[1-[3-(methylamino)propylcarbamoyl]pyrrolidin-2-yl]acetic acid
CID 61404883
2-[1-[2-(dimethylcarbamoylamino)ethylcarbamoyl]pyrrolidin-2-yl]acetic acid
CID 83114337
2-[1-(prop-2-enylcarbamoyl)pyrrolidin-2-yl]acetic acid
CID 61372720
2-[methyl-[(1-methylpyrrolidin-2-yl)methylcarbamoyl]amino]acetic acid
CID 106020947
3-[(1-methylpyrrolidin-2-yl)methylcarbamoylamino]propanoic acid
CID 106021158
2-[1-[(1-methylcyclopropyl)methylcarbamoyl]piperidin-2-yl]acetic acid
CID 114101416

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(1-methylpyrrolidin-2-yl)methylcarbamoyl]pyrrolidin-2-yl]acetic acid?
The IUPAC name of 2-[1-[(1-methylpyrrolidin-2-yl)methylcarbamoyl]pyrrolidin-2-yl]acetic acid (CID 114137800) is 2-[1-[(1-methylpyrrolidin-2-yl)methylcarbamoyl]pyrrolidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-[(1-methylpyrrolidin-2-yl)methylcarbamoyl]pyrrolidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-[(1-methylpyrrolidin-2-yl)methylcarbamoyl]pyrrolidin-2-yl]acetic acid is CN1CCCC1CNC(=O)N1CCCC1CC(=O)O.
What is the InChIKey of 2-[1-[(1-methylpyrrolidin-2-yl)methylcarbamoyl]pyrrolidin-2-yl]acetic acid?
The InChIKey is NYUKXMGJJPRUCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-15-6-2-5-11(15)9-14-13(19)16-7-3-4-10(16)8-12(17)18/h10-11H,2-9H2,1H3,(H,14,19)(H,17,18).
What are the key properties of 2-[1-[(1-methylpyrrolidin-2-yl)methylcarbamoyl]pyrrolidin-2-yl]acetic acid?
2-[1-[(1-methylpyrrolidin-2-yl)methylcarbamoyl]pyrrolidin-2-yl]acetic acid has a molecular weight of 269.34 g/mol, XLogP of 0.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(1-methylpyrrolidin-2-yl)methylcarbamoyl]pyrrolidin-2-yl]acetic acid is sourced from PubChem (CID 114137800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).