2-[2-oxo-3-(3-phenylpropyl)pyrrolidin-3-yl]acetic acid

C15H19NO3 — CID 54259067

IUPAC2-[2-oxo-3-(3-phenylpropyl)pyrrolidin-3-yl]acetic acid
SMILESO=C(O)CC1(CCCc2ccccc2)CCNC1=O
InChIInChI=1S/C15H19NO3/c17-13(18)11-15(9-10-16-14(15)19)8-4-7-12-5-2-1-3-6-12/h1-3,5-6H,4,7-11H2,(H,16,19)(H,17,18)
InChIKeyRCEJXUCCZOJXMT-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.99
Rot. Bonds6

About 2-[2-oxo-3-(3-phenylpropyl)pyrrolidin-3-yl]acetic acid

2-[2-oxo-3-(3-phenylpropyl)pyrrolidin-3-yl]acetic acid (PubChem CID 54259067) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-[2-oxo-3-(3-phenylpropyl)pyrrolidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[2-oxo-3-(3-phenylpropyl)pyrrolidin-3-yl]acetic acid
PubChem CID54259067
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name2-[2-oxo-3-(3-phenylpropyl)pyrrolidin-3-yl]acetic acid
SMILESO=C(O)CC1(CCCc2ccccc2)CCNC1=O
InChIInChI=1S/C15H19NO3/c17-13(18)11-15(9-10-16-14(15)19)8-4-7-12-5-2-1-3-6-12/h1-3,5-6H,4,7-11H2,(H,16,19)(H,17,18)
InChIKeyRCEJXUCCZOJXMT-UHFFFAOYSA-N
XLogP1.99
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(3-phenylpropyl)pyrrolidine-2-carboxylic acid;hydrochloride
CID 45026916
1-(4-phenylbutyl)cyclopropane-1-carboxylic acid
CID 114334160
N-[1-(3-phenylpropyl)cyclohexyl]acetamide
CID 143104770
2-phenyl-2-(3-phenylpropyl)pyrrolidine
CID 167199912
methyl 1-(3-phenylpropyl)cyclopropane-1-carboxylate
CID 86231403
(4-phenylpiperidin-4-yl) 5-phenylpentanoate
CID 167316142
3-ethyl-3-(3-phenylpropyl)oxetan-2-one
CID 155351217
4-fluoro-4-(3-phenylpropyl)azepane
CID 103984045
1-(4-phenylbutyl)cyclobutane-1-carboxylic acid
CID 114334159
3-(3-phenylpropyl)oxolane-3-carboxylic acid
CID 62738542
3-(2-phenylethyl)pyrrolidine-3-carboxylic acid
CID 79426364
3-phenylpropyl 2-(1-aminocyclobutyl)acetate
CID 79845366

Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-3-(3-phenylpropyl)pyrrolidin-3-yl]acetic acid?
The IUPAC name of 2-[2-oxo-3-(3-phenylpropyl)pyrrolidin-3-yl]acetic acid (CID 54259067) is 2-[2-oxo-3-(3-phenylpropyl)pyrrolidin-3-yl]acetic acid.
What is the SMILES notation for 2-[2-oxo-3-(3-phenylpropyl)pyrrolidin-3-yl]acetic acid?
The canonical SMILES for 2-[2-oxo-3-(3-phenylpropyl)pyrrolidin-3-yl]acetic acid is O=C(O)CC1(CCCc2ccccc2)CCNC1=O.
What is the InChIKey of 2-[2-oxo-3-(3-phenylpropyl)pyrrolidin-3-yl]acetic acid?
The InChIKey is RCEJXUCCZOJXMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c17-13(18)11-15(9-10-16-14(15)19)8-4-7-12-5-2-1-3-6-12/h1-3,5-6H,4,7-11H2,(H,16,19)(H,17,18).
What are the key properties of 2-[2-oxo-3-(3-phenylpropyl)pyrrolidin-3-yl]acetic acid?
2-[2-oxo-3-(3-phenylpropyl)pyrrolidin-3-yl]acetic acid has a molecular weight of 261.32 g/mol, XLogP of 1.99, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-3-(3-phenylpropyl)pyrrolidin-3-yl]acetic acid is sourced from PubChem (CID 54259067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).