(3R)-1-(2-cyclopentylidenepropanoyl)pyrrolidine-3-carboxylic acid

C13H19NO3 — CID 124610626

IUPAC(3R)-1-(2-cyclopentylidenepropanoyl)pyrrolidine-3-carboxylic acid
SMILESCC(C(=O)N1CC[C@@H](C(=O)O)C1)=C1CCCC1
InChIInChI=1S/C13H19NO3/c1-9(10-4-2-3-5-10)12(15)14-7-6-11(8-14)13(16)17/h11H,2-8H2,1H3,(H,16,17)/t11-/m1/s1
InChIKeyANBDPUDXRIACFR-LLVKDONJSA-N
MW237.30 g/mol
LogP1.81
Rot. Bonds2

About (3R)-1-(2-cyclopentylidenepropanoyl)pyrrolidine-3-carboxylic acid

(3R)-1-(2-cyclopentylidenepropanoyl)pyrrolidine-3-carboxylic acid (PubChem CID 124610626) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is (3R)-1-(2-cyclopentylidenepropanoyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-(2-cyclopentylidenepropanoyl)pyrrolidine-3-carboxylic acid
PubChem CID124610626
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name(3R)-1-(2-cyclopentylidenepropanoyl)pyrrolidine-3-carboxylic acid
SMILESCC(C(=O)N1CC[C@@H](C(=O)O)C1)=C1CCCC1
InChIInChI=1S/C13H19NO3/c1-9(10-4-2-3-5-10)12(15)14-7-6-11(8-14)13(16)17/h11H,2-8H2,1H3,(H,16,17)/t11-/m1/s1
InChIKeyANBDPUDXRIACFR-LLVKDONJSA-N
XLogP1.81
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (3R)-1-(2-cyclopentylidenepropanoyl)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

pyrrolidine-1,3-dicarboxylic acid
CID 22258620
1-(1-acetylpiperidine-4-carbonyl)piperidine-3-carboxylic acid
CID 43170987
1-acetylpiperidine-3-carboxylic acid
CID 14043896
1-acetylpyrrolidine-3-carboxylic acid;1-propan-2-ylpyrrolidine
CID 169177339
1-carbamoylpyrrolidine-3-carboxylic acid
CID 19959123
1-acetylpiperidine-3-carboxylic acid;ethane
CID 143204854
1-acetylpiperidine-4-carboxylic acid;ethane
CID 144882491
1-(2-acetylbenzoyl)pyrrolidine-3-carboxylic acid
CID 119353894
1-[(2E)-2-ethenylpenta-2,4-dienoyl]pyrrolidine-3-carboxylic acid
CID 144839908
1-[cyclopentyl(methyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63032080
1-[2-(2,5-dimethylpyrrolidin-1-yl)acetyl]pyrrolidine-3-carboxylic acid
CID 119354016
1-[2-(azetidin-3-ylidene)propanoyl]-N-methylpiperidine-3-carboxamide
CID 103195246

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2-cyclopentylidenepropanoyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of (3R)-1-(2-cyclopentylidenepropanoyl)pyrrolidine-3-carboxylic acid (CID 124610626) is (3R)-1-(2-cyclopentylidenepropanoyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-(2-cyclopentylidenepropanoyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-(2-cyclopentylidenepropanoyl)pyrrolidine-3-carboxylic acid is CC(C(=O)N1CC[C@@H](C(=O)O)C1)=C1CCCC1.
What is the InChIKey of (3R)-1-(2-cyclopentylidenepropanoyl)pyrrolidine-3-carboxylic acid?
The InChIKey is ANBDPUDXRIACFR-LLVKDONJSA-N. The full InChI is InChI=1S/C13H19NO3/c1-9(10-4-2-3-5-10)12(15)14-7-6-11(8-14)13(16)17/h11H,2-8H2,1H3,(H,16,17)/t11-/m1/s1.
What are the key properties of (3R)-1-(2-cyclopentylidenepropanoyl)pyrrolidine-3-carboxylic acid?
(3R)-1-(2-cyclopentylidenepropanoyl)pyrrolidine-3-carboxylic acid has a molecular weight of 237.30 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2-cyclopentylidenepropanoyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 124610626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).