2-[2-[(2S)-1-oxo-1-(2-phenylpyrrolidin-1-yl)propan-2-yl]oxypropan-2-yloxy]acetic acid

C18H25NO5 — CID 89060544

IUPAC2-[2-[(2S)-1-oxo-1-(2-phenylpyrrolidin-1-yl)propan-2-yl]oxypropan-2-yloxy]acetic acid
SMILESC[C@H](OC(C)(C)OCC(=O)O)C(=O)N1CCCC1c1ccccc1
InChIInChI=1S/C18H25NO5/c1-13(24-18(2,3)23-12-16(20)21)17(22)19-11-7-10-15(19)14-8-5-4-6-9-14/h4-6,8-9,13,15H,7,10-12H2,1-3H3,(H,20,21)/t13-,15?/m0/s1
InChIKeyWUVLMRRFTOQYGQ-CFMCSPIPSA-N
MW335.40 g/mol
LogP2.59
Rot. Bonds7

About 2-[2-[(2S)-1-oxo-1-(2-phenylpyrrolidin-1-yl)propan-2-yl]oxypropan-2-yloxy]acetic acid

2-[2-[(2S)-1-oxo-1-(2-phenylpyrrolidin-1-yl)propan-2-yl]oxypropan-2-yloxy]acetic acid (PubChem CID 89060544) has the molecular formula C18H25NO5 and a molecular weight of 335.40 g/mol. Its IUPAC name is 2-[2-[(2S)-1-oxo-1-(2-phenylpyrrolidin-1-yl)propan-2-yl]oxypropan-2-yloxy]acetic acid.

Molecular Properties

Compound Name2-[2-[(2S)-1-oxo-1-(2-phenylpyrrolidin-1-yl)propan-2-yl]oxypropan-2-yloxy]acetic acid
PubChem CID89060544
Molecular FormulaC18H25NO5
Molecular Weight335.40 g/mol
Exact Mass335.17
IUPAC Name2-[2-[(2S)-1-oxo-1-(2-phenylpyrrolidin-1-yl)propan-2-yl]oxypropan-2-yloxy]acetic acid
SMILESC[C@H](OC(C)(C)OCC(=O)O)C(=O)N1CCCC1c1ccccc1
InChIInChI=1S/C18H25NO5/c1-13(24-18(2,3)23-12-16(20)21)17(22)19-11-7-10-15(19)14-8-5-4-6-9-14/h4-6,8-9,13,15H,7,10-12H2,1-3H3,(H,20,21)/t13-,15?/m0/s1
InChIKeyWUVLMRRFTOQYGQ-CFMCSPIPSA-N
XLogP2.59
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-amino-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanoic acid
CID 64897035
(2R)-2-(cyclopropylmethoxy)-1-[(2S)-2-phenylazetidin-1-yl]propan-1-one
CID 95325747
tert-butyl (2S)-2-phenylpyrrolidine-1-carboxylate
CID 10999368
3-methyl-1-(2-phenylpyrrolidin-1-yl)butan-1-one
CID 110871522
5-amino-2-methyl-1-(2-phenylpyrrolidin-1-yl)pentan-1-one
CID 104683709
2-methoxy-2-methyl-1-(2-phenylpyrrolidin-1-yl)propan-1-one
CID 103029058
1-[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]-2-phenylmethoxypropan-1-one
CID 86951239
2-amino-1-(2-phenylpyrrolidin-1-yl)hexan-1-one
CID 60852760
2-(aminomethyl)-1-(2-phenylpyrrolidin-1-yl)pentan-1-one
CID 65226010
1-[2-(3-fluorophenyl)pyrrolidin-1-yl]-2-methoxypropan-1-one
CID 136578063
(2S)-N-[(2S)-3,3-dimethyl-1-[(2S)-2-[3-(N-methylanilino)phenyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]-2-(methylamino)propanamide
CID 54670374
1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-(4-methylphenoxy)propan-1-one
CID 51254391

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2S)-1-oxo-1-(2-phenylpyrrolidin-1-yl)propan-2-yl]oxypropan-2-yloxy]acetic acid?
The IUPAC name of 2-[2-[(2S)-1-oxo-1-(2-phenylpyrrolidin-1-yl)propan-2-yl]oxypropan-2-yloxy]acetic acid (CID 89060544) is 2-[2-[(2S)-1-oxo-1-(2-phenylpyrrolidin-1-yl)propan-2-yl]oxypropan-2-yloxy]acetic acid.
What is the SMILES notation for 2-[2-[(2S)-1-oxo-1-(2-phenylpyrrolidin-1-yl)propan-2-yl]oxypropan-2-yloxy]acetic acid?
The canonical SMILES for 2-[2-[(2S)-1-oxo-1-(2-phenylpyrrolidin-1-yl)propan-2-yl]oxypropan-2-yloxy]acetic acid is C[C@H](OC(C)(C)OCC(=O)O)C(=O)N1CCCC1c1ccccc1.
What is the InChIKey of 2-[2-[(2S)-1-oxo-1-(2-phenylpyrrolidin-1-yl)propan-2-yl]oxypropan-2-yloxy]acetic acid?
The InChIKey is WUVLMRRFTOQYGQ-CFMCSPIPSA-N. The full InChI is InChI=1S/C18H25NO5/c1-13(24-18(2,3)23-12-16(20)21)17(22)19-11-7-10-15(19)14-8-5-4-6-9-14/h4-6,8-9,13,15H,7,10-12H2,1-3H3,(H,20,21)/t13-,15?/m0/s1.
What are the key properties of 2-[2-[(2S)-1-oxo-1-(2-phenylpyrrolidin-1-yl)propan-2-yl]oxypropan-2-yloxy]acetic acid?
2-[2-[(2S)-1-oxo-1-(2-phenylpyrrolidin-1-yl)propan-2-yl]oxypropan-2-yloxy]acetic acid has a molecular weight of 335.40 g/mol, XLogP of 2.59, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2S)-1-oxo-1-(2-phenylpyrrolidin-1-yl)propan-2-yl]oxypropan-2-yloxy]acetic acid is sourced from PubChem (CID 89060544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).