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

C16H21NO3 — CID 119372031

IUPAC(2R)-1-(3-phenylpentanoyl)pyrrolidine-2-carboxylic acid
SMILESCCC(CC(=O)N1CCC[C@@H]1C(=O)O)c1ccccc1
InChIInChI=1S/C16H21NO3/c1-2-12(13-7-4-3-5-8-13)11-15(18)17-10-6-9-14(17)16(19)20/h3-5,7-8,12,14H,2,6,9-11H2,1H3,(H,19,20)/t12?,14-/m1/s1
InChIKeyHBAVOLUYVMUHRU-TYZXPVIJSA-N
MW275.35 g/mol
LogP2.65
Rot. Bonds5

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

(2R)-1-(3-phenylpentanoyl)pyrrolidine-2-carboxylic acid (PubChem CID 119372031) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is (2R)-1-(3-phenylpentanoyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-(3-phenylpentanoyl)pyrrolidine-2-carboxylic acid
PubChem CID119372031
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name(2R)-1-(3-phenylpentanoyl)pyrrolidine-2-carboxylic acid
SMILESCCC(CC(=O)N1CCC[C@@H]1C(=O)O)c1ccccc1
InChIInChI=1S/C16H21NO3/c1-2-12(13-7-4-3-5-8-13)11-15(18)17-10-6-9-14(17)16(19)20/h3-5,7-8,12,14H,2,6,9-11H2,1H3,(H,19,20)/t12?,14-/m1/s1
InChIKeyHBAVOLUYVMUHRU-TYZXPVIJSA-N
XLogP2.65
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-(3,4-diphenylbutanoyl)pyrrolidine-2-carboxylic acid
CID 119364861
N-cyclopropyl-1-(3-phenylpentanoyl)pyrrolidine-2-carboxamide
CID 136523602
1-(3,3-diphenylpropanoyl)pyrrolidine-2-carboxylic acid
CID 22665663
1-(3-phenylpentanoyl)piperidine-3-carboxylic acid
CID 119167620
1-(3-amino-3-phenylpropanoyl)azepane-2-carboxylic acid
CID 64561727
(2S)-1-[3-(3-fluorophenyl)butanoyl]pyrrolidine-2-carboxylic acid
CID 119365695
(2R)-1-[(3S)-3-(3-fluorophenyl)butanoyl]pyrrolidine-2-carboxylic acid
CID 124688312
(2S)-1-(3-methylbutanoyl)pyrrolidine-2-carboxylic acid
CID 10535993
(2S)-1-[(2R)-2-phenylpropanoyl]pyrrolidine-2-carboxylic acid
CID 10060528
(2R)-1-[3-(1,3-dioxoisoindol-2-yl)butanoyl]pyrrolidine-2-carboxylic acid
CID 164643870
(2R)-1-[(3S)-3-pyridin-4-ylbutanoyl]pyrrolidine-2-carboxylic acid
CID 125149822
2-(3-phenylpentanoyl)-3,4-dihydro-1H-isoquinoline-1-carboxylic acid
CID 119212837

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(3-phenylpentanoyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-(3-phenylpentanoyl)pyrrolidine-2-carboxylic acid (CID 119372031) is (2R)-1-(3-phenylpentanoyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-(3-phenylpentanoyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-(3-phenylpentanoyl)pyrrolidine-2-carboxylic acid is CCC(CC(=O)N1CCC[C@@H]1C(=O)O)c1ccccc1.
What is the InChIKey of (2R)-1-(3-phenylpentanoyl)pyrrolidine-2-carboxylic acid?
The InChIKey is HBAVOLUYVMUHRU-TYZXPVIJSA-N. The full InChI is InChI=1S/C16H21NO3/c1-2-12(13-7-4-3-5-8-13)11-15(18)17-10-6-9-14(17)16(19)20/h3-5,7-8,12,14H,2,6,9-11H2,1H3,(H,19,20)/t12?,14-/m1/s1.
What are the key properties of (2R)-1-(3-phenylpentanoyl)pyrrolidine-2-carboxylic acid?
(2R)-1-(3-phenylpentanoyl)pyrrolidine-2-carboxylic acid has a molecular weight of 275.35 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(3-phenylpentanoyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 119372031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).