(3R,4R)-1-(3-cyclopentylpropanoyl)-4-cyclopropylpyrrolidine-3-carboxylic acid

C16H25NO3 — CID 120978230

IUPAC(3R,4R)-1-(3-cyclopentylpropanoyl)-4-cyclopropylpyrrolidine-3-carboxylic acid
SMILESO=C(O)[C@H]1CN(C(=O)CCC2CCCC2)C[C@@H]1C1CC1
InChIInChI=1S/C16H25NO3/c18-15(8-5-11-3-1-2-4-11)17-9-13(12-6-7-12)14(10-17)16(19)20/h11-14H,1-10H2,(H,19,20)/t13-,14+/m1/s1
InChIKeyPEHJZCBFIWBIEE-KGLIPLIRSA-N
MW279.38 g/mol
LogP2.53
Rot. Bonds5

About (3R,4R)-1-(3-cyclopentylpropanoyl)-4-cyclopropylpyrrolidine-3-carboxylic acid

(3R,4R)-1-(3-cyclopentylpropanoyl)-4-cyclopropylpyrrolidine-3-carboxylic acid (PubChem CID 120978230) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is (3R,4R)-1-(3-cyclopentylpropanoyl)-4-cyclopropylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R,4R)-1-(3-cyclopentylpropanoyl)-4-cyclopropylpyrrolidine-3-carboxylic acid
PubChem CID120978230
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name(3R,4R)-1-(3-cyclopentylpropanoyl)-4-cyclopropylpyrrolidine-3-carboxylic acid
SMILESO=C(O)[C@H]1CN(C(=O)CCC2CCCC2)C[C@@H]1C1CC1
InChIInChI=1S/C16H25NO3/c18-15(8-5-11-3-1-2-4-11)17-9-13(12-6-7-12)14(10-17)16(19)20/h11-14H,1-10H2,(H,19,20)/t13-,14+/m1/s1
InChIKeyPEHJZCBFIWBIEE-KGLIPLIRSA-N
XLogP2.53
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-(3-cyclopentylpropanoyl)-4-cyclopropylpyrrolidine-3-carboxylic acid?
The IUPAC name of (3R,4R)-1-(3-cyclopentylpropanoyl)-4-cyclopropylpyrrolidine-3-carboxylic acid (CID 120978230) is (3R,4R)-1-(3-cyclopentylpropanoyl)-4-cyclopropylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3R,4R)-1-(3-cyclopentylpropanoyl)-4-cyclopropylpyrrolidine-3-carboxylic acid?
The canonical SMILES for (3R,4R)-1-(3-cyclopentylpropanoyl)-4-cyclopropylpyrrolidine-3-carboxylic acid is O=C(O)[C@H]1CN(C(=O)CCC2CCCC2)C[C@@H]1C1CC1.
What is the InChIKey of (3R,4R)-1-(3-cyclopentylpropanoyl)-4-cyclopropylpyrrolidine-3-carboxylic acid?
The InChIKey is PEHJZCBFIWBIEE-KGLIPLIRSA-N. The full InChI is InChI=1S/C16H25NO3/c18-15(8-5-11-3-1-2-4-11)17-9-13(12-6-7-12)14(10-17)16(19)20/h11-14H,1-10H2,(H,19,20)/t13-,14+/m1/s1.
What are the key properties of (3R,4R)-1-(3-cyclopentylpropanoyl)-4-cyclopropylpyrrolidine-3-carboxylic acid?
(3R,4R)-1-(3-cyclopentylpropanoyl)-4-cyclopropylpyrrolidine-3-carboxylic acid has a molecular weight of 279.38 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-(3-cyclopentylpropanoyl)-4-cyclopropylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 120978230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).