(2R)-1-(pent-1-yn-3-ylcarbamoyl)pyrrolidine-2-carboxylic acid

C11H16N2O3 — CID 106232078

IUPAC(2R)-1-(pent-1-yn-3-ylcarbamoyl)pyrrolidine-2-carboxylic acid
SMILESC#CC(CC)NC(=O)N1CCC[C@@H]1C(=O)O
InChIInChI=1S/C11H16N2O3/c1-3-8(4-2)12-11(16)13-7-5-6-9(13)10(14)15/h1,8-9H,4-7H2,2H3,(H,12,16)(H,14,15)/t8?,9-/m1/s1
InChIKeyZPXUETOAJPRLFD-YGPZHTELSA-N
MW224.26 g/mol
LogP0.66
Rot. Bonds3

About (2R)-1-(pent-1-yn-3-ylcarbamoyl)pyrrolidine-2-carboxylic acid

(2R)-1-(pent-1-yn-3-ylcarbamoyl)pyrrolidine-2-carboxylic acid (PubChem CID 106232078) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is (2R)-1-(pent-1-yn-3-ylcarbamoyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-(pent-1-yn-3-ylcarbamoyl)pyrrolidine-2-carboxylic acid
PubChem CID106232078
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name(2R)-1-(pent-1-yn-3-ylcarbamoyl)pyrrolidine-2-carboxylic acid
SMILESC#CC(CC)NC(=O)N1CCC[C@@H]1C(=O)O
InChIInChI=1S/C11H16N2O3/c1-3-8(4-2)12-11(16)13-7-5-6-9(13)10(14)15/h1,8-9H,4-7H2,2H3,(H,12,16)(H,14,15)/t8?,9-/m1/s1
InChIKeyZPXUETOAJPRLFD-YGPZHTELSA-N
XLogP0.66
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2R)-1-(pent-1-yn-3-ylcarbamoyl)pyrrolidine-2-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

(2R)-1-(hex-1-yn-3-ylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 106232425
(2S)-1-(pentan-3-ylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 61187396
(2S)-1-(2-methylpentan-3-ylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 54954942
1-(2-methylpentan-3-ylcarbamoyl)piperidine-2-carboxylic acid
CID 54954740
1-(prop-2-ynylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 61192237
(2S)-1-(hexan-2-ylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 55050550
(2S)-1-(4-methylpentan-2-ylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 61197461
1-(5-methylhexan-2-ylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 63925924
(2S)-1-[(1-ethoxy-1-oxopropan-2-yl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 54960242
1-(1-cyclopropylpropan-2-ylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 63996144
(2S)-1-(ethylcarbamoyl)piperidine-2-carboxylic acid
CID 66264798
1-(prop-2-ynylcarbamoyl)azepane-2-carboxylic acid
CID 64563682

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(pent-1-yn-3-ylcarbamoyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-(pent-1-yn-3-ylcarbamoyl)pyrrolidine-2-carboxylic acid (CID 106232078) is (2R)-1-(pent-1-yn-3-ylcarbamoyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-(pent-1-yn-3-ylcarbamoyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-(pent-1-yn-3-ylcarbamoyl)pyrrolidine-2-carboxylic acid is C#CC(CC)NC(=O)N1CCC[C@@H]1C(=O)O.
What is the InChIKey of (2R)-1-(pent-1-yn-3-ylcarbamoyl)pyrrolidine-2-carboxylic acid?
The InChIKey is ZPXUETOAJPRLFD-YGPZHTELSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-3-8(4-2)12-11(16)13-7-5-6-9(13)10(14)15/h1,8-9H,4-7H2,2H3,(H,12,16)(H,14,15)/t8?,9-/m1/s1.
What are the key properties of (2R)-1-(pent-1-yn-3-ylcarbamoyl)pyrrolidine-2-carboxylic acid?
(2R)-1-(pent-1-yn-3-ylcarbamoyl)pyrrolidine-2-carboxylic acid has a molecular weight of 224.26 g/mol, XLogP of 0.66, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(pent-1-yn-3-ylcarbamoyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 106232078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).