ethyl 4-oxo-4-[(3R)-3-phenylpyrrolidin-1-yl]butanoate

C16H21NO3 — CID 51895095

IUPACethyl 4-oxo-4-[(3R)-3-phenylpyrrolidin-1-yl]butanoate
SMILESCCOC(=O)CCC(=O)N1CC[C@H](c2ccccc2)C1
InChIInChI=1S/C16H21NO3/c1-2-20-16(19)9-8-15(18)17-11-10-14(12-17)13-6-4-3-5-7-13/h3-7,14H,2,8-12H2,1H3/t14-/m0/s1
InChIKeyLUJWAKPBQBBPPW-AWEZNQCLSA-N
MW275.35 g/mol
LogP2.35
Rot. Bonds5

About ethyl 4-oxo-4-[(3R)-3-phenylpyrrolidin-1-yl]butanoate

ethyl 4-oxo-4-[(3R)-3-phenylpyrrolidin-1-yl]butanoate (PubChem CID 51895095) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is ethyl 4-oxo-4-[(3R)-3-phenylpyrrolidin-1-yl]butanoate.

Molecular Properties

Compound Nameethyl 4-oxo-4-[(3R)-3-phenylpyrrolidin-1-yl]butanoate
PubChem CID51895095
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Nameethyl 4-oxo-4-[(3R)-3-phenylpyrrolidin-1-yl]butanoate
SMILESCCOC(=O)CCC(=O)N1CC[C@H](c2ccccc2)C1
InChIInChI=1S/C16H21NO3/c1-2-20-16(19)9-8-15(18)17-11-10-14(12-17)13-6-4-3-5-7-13/h3-7,14H,2,8-12H2,1H3/t14-/m0/s1
InChIKeyLUJWAKPBQBBPPW-AWEZNQCLSA-N
XLogP2.35
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-1-(3-phenylpyrrolidin-1-yl)pentan-1-one
CID 60605253
ethyl 4-[[ethylamino-(3-phenylpyrrolidin-1-yl)methylidene]amino]butanoate
CID 111723371
ethyl 4-oxo-4-(4-phenylcyclohexyl)butanoate
CID 174381996
2-[2-oxo-2-(3-phenylpyrrolidin-1-yl)ethyl]sulfanylacetamide
CID 60605411
ethyl 2-oxo-2-(3-phenylazepan-1-yl)acetate
CID 90608416
(2S)-2-amino-1-(3-phenylpyrrolidin-1-yl)butan-1-one
CID 79023414
ethyl 4-[4-[(2,2-diphenylacetyl)amino]piperidin-1-yl]-4-oxobutanoate
CID 108559440
N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-oxo-4-[(3S)-3-phenylpyrrolidin-1-yl]butanamide
CID 92612678
3,3,3-trifluoro-1-(3-phenylpyrrolidin-1-yl)propan-1-one
CID 126796221
ethyl 4-oxo-4-(4-phenylpiperazin-1-yl)butanoate
CID 60636216
1-(4-ethoxy-4-oxobutanoyl)piperidine-3-carboxylic acid
CID 43355863
ethyl 2-(3-phenylpyrrolidin-1-yl)propanoate
CID 62070395

Frequently Asked Questions

What is the IUPAC name of ethyl 4-oxo-4-[(3R)-3-phenylpyrrolidin-1-yl]butanoate?
The IUPAC name of ethyl 4-oxo-4-[(3R)-3-phenylpyrrolidin-1-yl]butanoate (CID 51895095) is ethyl 4-oxo-4-[(3R)-3-phenylpyrrolidin-1-yl]butanoate.
What is the SMILES notation for ethyl 4-oxo-4-[(3R)-3-phenylpyrrolidin-1-yl]butanoate?
The canonical SMILES for ethyl 4-oxo-4-[(3R)-3-phenylpyrrolidin-1-yl]butanoate is CCOC(=O)CCC(=O)N1CC[C@H](c2ccccc2)C1.
What is the InChIKey of ethyl 4-oxo-4-[(3R)-3-phenylpyrrolidin-1-yl]butanoate?
The InChIKey is LUJWAKPBQBBPPW-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H21NO3/c1-2-20-16(19)9-8-15(18)17-11-10-14(12-17)13-6-4-3-5-7-13/h3-7,14H,2,8-12H2,1H3/t14-/m0/s1.
What are the key properties of ethyl 4-oxo-4-[(3R)-3-phenylpyrrolidin-1-yl]butanoate?
ethyl 4-oxo-4-[(3R)-3-phenylpyrrolidin-1-yl]butanoate has a molecular weight of 275.35 g/mol, XLogP of 2.35, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-oxo-4-[(3R)-3-phenylpyrrolidin-1-yl]butanoate is sourced from PubChem (CID 51895095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).