1-[[2-(3-phenylpyrrolidin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid

C18H24N2O3 — CID 91842994

IUPAC1-[[2-(3-phenylpyrrolidin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid
SMILESO=C(CN1CCC(c2ccccc2)C1)NC1(C(=O)O)CCCC1
InChIInChI=1S/C18H24N2O3/c21-16(19-18(17(22)23)9-4-5-10-18)13-20-11-8-15(12-20)14-6-2-1-3-7-14/h1-3,6-7,15H,4-5,8-13H2,(H,19,21)(H,22,23)
InChIKeyKJQLIEOFVIMGOW-UHFFFAOYSA-N
MW316.40 g/mol
LogP1.99
Rot. Bonds5

About 1-[[2-(3-phenylpyrrolidin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid

1-[[2-(3-phenylpyrrolidin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 91842994) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is 1-[[2-(3-phenylpyrrolidin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[2-(3-phenylpyrrolidin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid
PubChem CID91842994
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name1-[[2-(3-phenylpyrrolidin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid
SMILESO=C(CN1CCC(c2ccccc2)C1)NC1(C(=O)O)CCCC1
InChIInChI=1S/C18H24N2O3/c21-16(19-18(17(22)23)9-4-5-10-18)13-20-11-8-15(12-20)14-6-2-1-3-7-14/h1-3,6-7,15H,4-5,8-13H2,(H,19,21)(H,22,23)
InChIKeyKJQLIEOFVIMGOW-UHFFFAOYSA-N
XLogP1.99
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxyethyl)-2-(3-phenylpyrrolidin-1-yl)acetamide
CID 62133590
N-[(2R)-3-methylbutan-2-yl]-2-[(3R)-3-phenylpyrrolidin-1-yl]acetamide
CID 95280817
2-(3-phenylpyrrolidin-1-yl)-N-prop-2-ynylacetamide
CID 78983867
2-[(3R)-3-phenylpyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 95317472
N-[(1R)-1-cyclopropylethyl]-2-[(3R)-3-phenylpyrrolidin-1-yl]acetamide
CID 95321250
2-(3-phenylpyrrolidin-1-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide
CID 60603605
N-pentyl-2-[(3S)-3-phenylpyrrolidin-1-yl]acetamide
CID 95317674
N-(3-methoxypropyl)-2-[(3R)-3-phenylpyrrolidin-1-yl]acetamide
CID 95147881
N-[2-(4-methoxyphenyl)ethyl]-2-[(3R)-3-phenylpyrrolidin-1-yl]acetamide
CID 95313734
N-[2-(2-methylphenyl)ethyl]-2-[(3R)-3-phenylpyrrolidin-1-yl]acetamide
CID 95333668
1-(3-phenylpyrrolidine-1-carbonyl)cyclopropane-1-carboxylic acid
CID 62131428
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-[(3R)-3-phenylpyrrolidin-1-yl]acetamide
CID 95311777

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(3-phenylpyrrolidin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[[2-(3-phenylpyrrolidin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid (CID 91842994) is 1-[[2-(3-phenylpyrrolidin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[[2-(3-phenylpyrrolidin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[[2-(3-phenylpyrrolidin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid is O=C(CN1CCC(c2ccccc2)C1)NC1(C(=O)O)CCCC1.
What is the InChIKey of 1-[[2-(3-phenylpyrrolidin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is KJQLIEOFVIMGOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c21-16(19-18(17(22)23)9-4-5-10-18)13-20-11-8-15(12-20)14-6-2-1-3-7-14/h1-3,6-7,15H,4-5,8-13H2,(H,19,21)(H,22,23).
What are the key properties of 1-[[2-(3-phenylpyrrolidin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid?
1-[[2-(3-phenylpyrrolidin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 316.40 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(3-phenylpyrrolidin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 91842994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).