1-[1-(aminomethyl)cyclobutanecarbonyl]pyrrolidine-3-carboxylic acid

C11H18N2O3 — CID 115448527

IUPAC1-[1-(aminomethyl)cyclobutanecarbonyl]pyrrolidine-3-carboxylic acid
SMILESNCC1(C(=O)N2CCC(C(=O)O)C2)CCC1
InChIInChI=1S/C11H18N2O3/c12-7-11(3-1-4-11)10(16)13-5-2-8(6-13)9(14)15/h8H,1-7,12H2,(H,14,15)
InChIKeyUGWDSRNQMFVNGF-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.05
Rot. Bonds3

About 1-[1-(aminomethyl)cyclobutanecarbonyl]pyrrolidine-3-carboxylic acid

1-[1-(aminomethyl)cyclobutanecarbonyl]pyrrolidine-3-carboxylic acid (PubChem CID 115448527) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 1-[1-(aminomethyl)cyclobutanecarbonyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[1-(aminomethyl)cyclobutanecarbonyl]pyrrolidine-3-carboxylic acid
PubChem CID115448527
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name1-[1-(aminomethyl)cyclobutanecarbonyl]pyrrolidine-3-carboxylic acid
SMILESNCC1(C(=O)N2CCC(C(=O)O)C2)CCC1
InChIInChI=1S/C11H18N2O3/c12-7-11(3-1-4-11)10(16)13-5-2-8(6-13)9(14)15/h8H,1-7,12H2,(H,14,15)
InChIKeyUGWDSRNQMFVNGF-UHFFFAOYSA-N
XLogP0.05
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[1-(aminomethyl)cyclobutanecarbonyl]pyrrolidine-3-carboxylic 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

1-[2-(Aminomethyl)pentanoyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 65228361
1-[2-(Aminomethyl)-4-methylpentanoyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 80119205
1-[2-[1-(Aminomethyl)cyclobutyl]acetyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 81172581
1-(3-Amino-4-methylpentanoyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 81988931
1-(5-Amino-4-methylpentanoyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 82688136
1-[[[3-(Trifluoromethyl)pyrrolidine-3-carbonyl]amino]methyl]cyclobutane-1-carboxylic acid
CID 115445897
1-[1-(Aminomethyl)cyclobutanecarbonyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 115448551
1-(5-Amino-2-methylpentanoyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 115867028
3-Fluoro-1-(1-methylcyclobutanecarbonyl)pyrrolidine-3-carboxylic acid
CID 120529627
3-Methyl-1-(2-methylpentanoyl)pyrrolidine-3-carboxylic acid
CID 63146518
2-[(1S)-2,2-dimethylcyclopropanecarbonyl]-2,7-diazaspiro[3.4]octane-5-carboxylic acid
CID 175981315
1-(3-Pyrrolidin-1-ylpropylcarbamoyl)cyclobutane-1-carboxylic acid
CID 55133507

Frequently Asked Questions

What is the IUPAC name of 1-[1-(aminomethyl)cyclobutanecarbonyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[1-(aminomethyl)cyclobutanecarbonyl]pyrrolidine-3-carboxylic acid (CID 115448527) is 1-[1-(aminomethyl)cyclobutanecarbonyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[1-(aminomethyl)cyclobutanecarbonyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[1-(aminomethyl)cyclobutanecarbonyl]pyrrolidine-3-carboxylic acid is NCC1(C(=O)N2CCC(C(=O)O)C2)CCC1.
What is the InChIKey of 1-[1-(aminomethyl)cyclobutanecarbonyl]pyrrolidine-3-carboxylic acid?
The InChIKey is UGWDSRNQMFVNGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c12-7-11(3-1-4-11)10(16)13-5-2-8(6-13)9(14)15/h8H,1-7,12H2,(H,14,15).
What are the key properties of 1-[1-(aminomethyl)cyclobutanecarbonyl]pyrrolidine-3-carboxylic acid?
1-[1-(aminomethyl)cyclobutanecarbonyl]pyrrolidine-3-carboxylic acid has a molecular weight of 226.28 g/mol, XLogP of 0.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(aminomethyl)cyclobutanecarbonyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 115448527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).