4-[(2,3-dimethylpyrrolidine-1-carbonyl)amino]butanoic acid

C11H20N2O3 — CID 122022322

IUPAC4-[(2,3-dimethylpyrrolidine-1-carbonyl)amino]butanoic acid
SMILESCC1CCN(C(=O)NCCCC(=O)O)C1C
InChIInChI=1S/C11H20N2O3/c1-8-5-7-13(9(8)2)11(16)12-6-3-4-10(14)15/h8-9H,3-7H2,1-2H3,(H,12,16)(H,14,15)
InChIKeyVFDATLTUYAPRRV-UHFFFAOYSA-N
MW228.29 g/mol
LogP1.29
Rot. Bonds4

About 4-[(2,3-dimethylpyrrolidine-1-carbonyl)amino]butanoic acid

4-[(2,3-dimethylpyrrolidine-1-carbonyl)amino]butanoic acid (PubChem CID 122022322) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 4-[(2,3-dimethylpyrrolidine-1-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[(2,3-dimethylpyrrolidine-1-carbonyl)amino]butanoic acid
PubChem CID122022322
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name4-[(2,3-dimethylpyrrolidine-1-carbonyl)amino]butanoic acid
SMILESCC1CCN(C(=O)NCCCC(=O)O)C1C
InChIInChI=1S/C11H20N2O3/c1-8-5-7-13(9(8)2)11(16)12-6-3-4-10(14)15/h8-9H,3-7H2,1-2H3,(H,12,16)(H,14,15)
InChIKeyVFDATLTUYAPRRV-UHFFFAOYSA-N
XLogP1.29
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[(2,3-dimethylpyrrolidine-1-carbonyl)amino]butanoic 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-[(2-ethyl-3-methylpyrrolidine-1-carbonyl)amino]propanoic acid
CID 122017839
6-[(2,4-dimethylpiperidine-1-carbonyl)amino]hexanoic acid
CID 62331104
1-[[4-(cyclopropylamino)-4-oxobutyl]carbamoyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102782877
4-[(2-ethylpyrrolidine-1-carbonyl)amino]butanoic acid
CID 61208817
4-[(2-phenylazetidine-1-carbonyl)amino]butanoic acid
CID 122021569
4-[(2-ethylazepane-1-carbonyl)amino]butanoic acid
CID 104690969
4-[[2-(2-methoxy-2-oxoethyl)pyrrolidine-1-carbonyl]amino]butanoic acid
CID 122022100
1-[3-(cyclopropylamino)propylcarbamoyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79382716
7-[(2-ethylpyrrolidine-1-carbonyl)amino]heptanoic acid
CID 61207841
6-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]hexanoic acid
CID 114679485
(2S)-4-[(2,3-dimethylpiperidine-1-carbonyl)amino]-2-hydroxybutanoic acid
CID 114007449
4-[[2-methyl-4-(2-methylpropyl)-3-oxopiperazine-1-carbonyl]amino]butanoic acid
CID 122022741

Frequently Asked Questions

What is the IUPAC name of 4-[(2,3-dimethylpyrrolidine-1-carbonyl)amino]butanoic acid?
The IUPAC name of 4-[(2,3-dimethylpyrrolidine-1-carbonyl)amino]butanoic acid (CID 122022322) is 4-[(2,3-dimethylpyrrolidine-1-carbonyl)amino]butanoic acid.
What is the SMILES notation for 4-[(2,3-dimethylpyrrolidine-1-carbonyl)amino]butanoic acid?
The canonical SMILES for 4-[(2,3-dimethylpyrrolidine-1-carbonyl)amino]butanoic acid is CC1CCN(C(=O)NCCCC(=O)O)C1C.
What is the InChIKey of 4-[(2,3-dimethylpyrrolidine-1-carbonyl)amino]butanoic acid?
The InChIKey is VFDATLTUYAPRRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-8-5-7-13(9(8)2)11(16)12-6-3-4-10(14)15/h8-9H,3-7H2,1-2H3,(H,12,16)(H,14,15).
What are the key properties of 4-[(2,3-dimethylpyrrolidine-1-carbonyl)amino]butanoic acid?
4-[(2,3-dimethylpyrrolidine-1-carbonyl)amino]butanoic acid has a molecular weight of 228.29 g/mol, XLogP of 1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,3-dimethylpyrrolidine-1-carbonyl)amino]butanoic acid is sourced from PubChem (CID 122022322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).