(3R,4R)-4-cyclopropyl-1-pentanoylpyrrolidine-3-carboxylic acid

C13H21NO3 — CID 120978564

IUPAC(3R,4R)-4-cyclopropyl-1-pentanoylpyrrolidine-3-carboxylic acid
SMILESCCCCC(=O)N1C[C@H](C(=O)O)[C@@H](C2CC2)C1
InChIInChI=1S/C13H21NO3/c1-2-3-4-12(15)14-7-10(9-5-6-9)11(8-14)13(16)17/h9-11H,2-8H2,1H3,(H,16,17)/t10-,11+/m1/s1
InChIKeyDJDCLBSHMGYAHG-MNOVXSKESA-N
MW239.31 g/mol
LogP1.75
Rot. Bonds5

About (3R,4R)-4-cyclopropyl-1-pentanoylpyrrolidine-3-carboxylic acid

(3R,4R)-4-cyclopropyl-1-pentanoylpyrrolidine-3-carboxylic acid (PubChem CID 120978564) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is (3R,4R)-4-cyclopropyl-1-pentanoylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R,4R)-4-cyclopropyl-1-pentanoylpyrrolidine-3-carboxylic acid
PubChem CID120978564
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name(3R,4R)-4-cyclopropyl-1-pentanoylpyrrolidine-3-carboxylic acid
SMILESCCCCC(=O)N1C[C@H](C(=O)O)[C@@H](C2CC2)C1
InChIInChI=1S/C13H21NO3/c1-2-3-4-12(15)14-7-10(9-5-6-9)11(8-14)13(16)17/h9-11H,2-8H2,1H3,(H,16,17)/t10-,11+/m1/s1
InChIKeyDJDCLBSHMGYAHG-MNOVXSKESA-N
XLogP1.75
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3R,4R)-4-cyclopropyl-1-pentanoylpyrrolidine-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

(3R,4R)-4-cyclopropyl-1-[5-(dimethylamino)-5-oxopentanoyl]pyrrolidine-3-carboxylic acid
CID 120980092
(3R,4R)-4-cyclopropyl-1-(3-methylsulfanylpropanoyl)pyrrolidine-3-carboxylic acid
CID 120979773
(3R,4R)-1-[4-(cyclopropanecarbonylamino)butanoyl]-4-cyclopropylpyrrolidine-3-carboxylic acid
CID 120978735
(3R,4R)-1-(2-butylsulfanylpropanoyl)-4-cyclopropylpyrrolidine-3-carboxylic acid
CID 120979823
1-heptanoyl-4-methylpyrrolidine-3-carboxylic acid
CID 63722075
(3R,4R)-4-cyclopropyl-1-[3-(2-oxo-3-propylbenzimidazol-1-yl)propanoyl]pyrrolidine-3-carboxylic acid
CID 120979025
(3R,4R)-4-cyclopropyl-1-(3-ethyl-4-methylpentanoyl)pyrrolidine-3-carboxylic acid
CID 120979546
(3S,4S)-4-cyclopropyl-1-(4-phenylmethoxybutanoyl)pyrrolidine-3-carboxylic acid
CID 86283350
(3R,4R)-4-cyclopropyl-1-(2,2-dimethylbutanoyl)pyrrolidine-3-carboxylic acid
CID 120979600
(3R,4R)-4-cyclopropyl-1-[2-(4-propoxyphenoxy)acetyl]pyrrolidine-3-carboxylic acid
CID 120979396
(3R,4R)-4-cyclopropyl-1-[3-(4-methoxyphenyl)propanoyl]pyrrolidine-3-carboxylic acid
CID 120978205
(3R,4R)-4-cyclopropyl-1-[2-[methyl(methylsulfonyl)amino]acetyl]pyrrolidine-3-carboxylic acid
CID 120978126

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-cyclopropyl-1-pentanoylpyrrolidine-3-carboxylic acid?
The IUPAC name of (3R,4R)-4-cyclopropyl-1-pentanoylpyrrolidine-3-carboxylic acid (CID 120978564) is (3R,4R)-4-cyclopropyl-1-pentanoylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3R,4R)-4-cyclopropyl-1-pentanoylpyrrolidine-3-carboxylic acid?
The canonical SMILES for (3R,4R)-4-cyclopropyl-1-pentanoylpyrrolidine-3-carboxylic acid is CCCCC(=O)N1C[C@H](C(=O)O)[C@@H](C2CC2)C1.
What is the InChIKey of (3R,4R)-4-cyclopropyl-1-pentanoylpyrrolidine-3-carboxylic acid?
The InChIKey is DJDCLBSHMGYAHG-MNOVXSKESA-N. The full InChI is InChI=1S/C13H21NO3/c1-2-3-4-12(15)14-7-10(9-5-6-9)11(8-14)13(16)17/h9-11H,2-8H2,1H3,(H,16,17)/t10-,11+/m1/s1.
What are the key properties of (3R,4R)-4-cyclopropyl-1-pentanoylpyrrolidine-3-carboxylic acid?
(3R,4R)-4-cyclopropyl-1-pentanoylpyrrolidine-3-carboxylic acid has a molecular weight of 239.31 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-cyclopropyl-1-pentanoylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 120978564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).