(2S)-1-[(2R)-2-phenylpropanoyl]pyrrolidine-2-carboxylic acid

C14H17NO3 — CID 10060528

IUPAC(2S)-1-[(2R)-2-phenylpropanoyl]pyrrolidine-2-carboxylic acid
SMILESC[C@@H](C(=O)N1CCC[C@H]1C(=O)O)c1ccccc1
InChIInChI=1S/C14H17NO3/c1-10(11-6-3-2-4-7-11)13(16)15-9-5-8-12(15)14(17)18/h2-4,6-7,10,12H,5,8-9H2,1H3,(H,17,18)/t10-,12+/m1/s1
InChIKeyWBSGGZPWSXYXIR-PWSUYJOCSA-N
MW247.29 g/mol
LogP1.87
Rot. Bonds3

About (2S)-1-[(2R)-2-phenylpropanoyl]pyrrolidine-2-carboxylic acid

(2S)-1-[(2R)-2-phenylpropanoyl]pyrrolidine-2-carboxylic acid (PubChem CID 10060528) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is (2S)-1-[(2R)-2-phenylpropanoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-[(2R)-2-phenylpropanoyl]pyrrolidine-2-carboxylic acid
PubChem CID10060528
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name(2S)-1-[(2R)-2-phenylpropanoyl]pyrrolidine-2-carboxylic acid
SMILESC[C@@H](C(=O)N1CCC[C@H]1C(=O)O)c1ccccc1
InChIInChI=1S/C14H17NO3/c1-10(11-6-3-2-4-7-11)13(16)15-9-5-8-12(15)14(17)18/h2-4,6-7,10,12H,5,8-9H2,1H3,(H,17,18)/t10-,12+/m1/s1
InChIKeyWBSGGZPWSXYXIR-PWSUYJOCSA-N
XLogP1.87
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-(2-oxo-3-phenylbutanoyl)pyrrolidine-2-carboxylic acid
CID 141164625
(2S)-1-[2-(3-methoxyphenyl)propanoyl]pyrrolidine-2-carboxylic acid
CID 119366290
(2R)-1-[(2R)-2-(3-methoxyphenyl)propanoyl]pyrrolidine-2-carboxylic acid
CID 124591782
1-(3-amino-2-methyl-3-phenylpropanoyl)pyrrolidine-2-carboxylic acid
CID 80552235
1-(2-anilinopropanoyl)pyrrolidine-2-carboxylic acid
CID 18623712
(2R)-1-[(2S)-2-(2-fluorophenyl)propanoyl]piperidine-2-carboxylic acid
CID 99639784
(2S)-1-[2-(6-methoxynaphthalen-2-yl)propanoyl]pyrrolidine-2-carboxylic acid
CID 119365455
(2S)-N'-[(1E,5E)-6-[[amino-[(2S)-1-[(2R)-2-phenylpropanoyl]pyrrolidin-2-yl]methylidene]amino]hexa-1,5-dien-3-ynyl]-1-[(2R)-2-phenylpropanoyl]pyrrolidine-2-carboximidamide
CID 134421648
(2R)-1-(2-benzamidopropanoyl)pyrrolidine-2-carboxylic acid
CID 78920023
1-(3,3-diphenylpropanoyl)pyrrolidine-2-carboxylic acid
CID 22665663
1-(2-benzamido-2-phenylacetyl)pyrrolidine-2-carboxylic acid
CID 22665693
1-(2-hydroxypropanoyl)pyrrolidine-2-carboxylic acid
CID 12919062

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2R)-2-phenylpropanoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-[(2R)-2-phenylpropanoyl]pyrrolidine-2-carboxylic acid (CID 10060528) is (2S)-1-[(2R)-2-phenylpropanoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-[(2R)-2-phenylpropanoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-[(2R)-2-phenylpropanoyl]pyrrolidine-2-carboxylic acid is C[C@@H](C(=O)N1CCC[C@H]1C(=O)O)c1ccccc1.
What is the InChIKey of (2S)-1-[(2R)-2-phenylpropanoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is WBSGGZPWSXYXIR-PWSUYJOCSA-N. The full InChI is InChI=1S/C14H17NO3/c1-10(11-6-3-2-4-7-11)13(16)15-9-5-8-12(15)14(17)18/h2-4,6-7,10,12H,5,8-9H2,1H3,(H,17,18)/t10-,12+/m1/s1.
What are the key properties of (2S)-1-[(2R)-2-phenylpropanoyl]pyrrolidine-2-carboxylic acid?
(2S)-1-[(2R)-2-phenylpropanoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 247.29 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2R)-2-phenylpropanoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 10060528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).