methyl 2-[5-oxo-1-[(1R)-1-phenylethyl]pyrrolidin-2-yl]acetate

C15H19NO3 — CID 70631589

IUPACmethyl 2-[5-oxo-1-[(1R)-1-phenylethyl]pyrrolidin-2-yl]acetate
SMILESCOC(=O)CC1CCC(=O)N1[C@H](C)c1ccccc1
InChIInChI=1S/C15H19NO3/c1-11(12-6-4-3-5-7-12)16-13(8-9-14(16)17)10-15(18)19-2/h3-7,11,13H,8-10H2,1-2H3/t11-,13?/m1/s1
InChIKeyVWXQPEJISRSHID-JTDNENJMSA-N
MW261.32 g/mol
LogP2.30
Rot. Bonds4

About methyl 2-[5-oxo-1-[(1R)-1-phenylethyl]pyrrolidin-2-yl]acetate

methyl 2-[5-oxo-1-[(1R)-1-phenylethyl]pyrrolidin-2-yl]acetate (PubChem CID 70631589) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is methyl 2-[5-oxo-1-[(1R)-1-phenylethyl]pyrrolidin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[5-oxo-1-[(1R)-1-phenylethyl]pyrrolidin-2-yl]acetate
PubChem CID70631589
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Namemethyl 2-[5-oxo-1-[(1R)-1-phenylethyl]pyrrolidin-2-yl]acetate
SMILESCOC(=O)CC1CCC(=O)N1[C@H](C)c1ccccc1
InChIInChI=1S/C15H19NO3/c1-11(12-6-4-3-5-7-12)16-13(8-9-14(16)17)10-15(18)19-2/h3-7,11,13H,8-10H2,1-2H3/t11-,13?/m1/s1
InChIKeyVWXQPEJISRSHID-JTDNENJMSA-N
XLogP2.30
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(6S)-1-[(1R)-1-phenylethyl]-6-propylpiperidin-2-one
CID 11402324
methyl 2-[(2S,5R)-1-[(1R)-2-hydroxy-1-phenylethyl]-5-(2-methoxy-2-oxoethyl)pyrrolidin-2-yl]acetate
CID 101453198
methyl 5-(2-methoxy-2-oxoethyl)-2-oxo-3-(1-phenylethyl)-1,3-oxazolidine-4-carboxylate
CID 18474853
5-[2-(ethylamino)ethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one
CID 45188866
methyl (3R,4R)-4-(2-methoxy-2-oxoethyl)-2-oxo-1-[(1S)-1-phenylethyl]pyrrolidine-3-carboxylate
CID 11088469
(6S)-1-[(1S)-1-phenylethyl]-6-(3-phenylmethoxypropyl)piperidin-2-one
CID 16658207
methyl 2-[1-[(3,4-difluorophenyl)methyl]-5-oxopyrrolidin-2-yl]acetate
CID 175838120
(4aR,8aS)-1-[(1R)-1-phenylethyl]-4,4a,5,7,8,8a-hexahydro-3H-quinoline-2,6-dione
CID 7188279
methyl 2-[(2S,3R)-1-benzhydryl-2-cyano-5-oxopyrrolidin-3-yl]acetate
CID 125491976
ethyl (4aS)-2-oxo-1-[(1S)-1-phenylethyl]-3,4,5,6,7,7a-hexahydrocyclopenta[b]pyridine-4a-carboxylate
CID 178162192
methyl 2-[[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]carbamoylamino]acetate
CID 108875961
methyl N-[2-ethyl-4-oxo-1-[(1S)-1-phenylethyl]azetidin-3-yl]carbamate
CID 6712466

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-oxo-1-[(1R)-1-phenylethyl]pyrrolidin-2-yl]acetate?
The IUPAC name of methyl 2-[5-oxo-1-[(1R)-1-phenylethyl]pyrrolidin-2-yl]acetate (CID 70631589) is methyl 2-[5-oxo-1-[(1R)-1-phenylethyl]pyrrolidin-2-yl]acetate.
What is the SMILES notation for methyl 2-[5-oxo-1-[(1R)-1-phenylethyl]pyrrolidin-2-yl]acetate?
The canonical SMILES for methyl 2-[5-oxo-1-[(1R)-1-phenylethyl]pyrrolidin-2-yl]acetate is COC(=O)CC1CCC(=O)N1[C@H](C)c1ccccc1.
What is the InChIKey of methyl 2-[5-oxo-1-[(1R)-1-phenylethyl]pyrrolidin-2-yl]acetate?
The InChIKey is VWXQPEJISRSHID-JTDNENJMSA-N. The full InChI is InChI=1S/C15H19NO3/c1-11(12-6-4-3-5-7-12)16-13(8-9-14(16)17)10-15(18)19-2/h3-7,11,13H,8-10H2,1-2H3/t11-,13?/m1/s1.
What are the key properties of methyl 2-[5-oxo-1-[(1R)-1-phenylethyl]pyrrolidin-2-yl]acetate?
methyl 2-[5-oxo-1-[(1R)-1-phenylethyl]pyrrolidin-2-yl]acetate has a molecular weight of 261.32 g/mol, XLogP of 2.30, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-oxo-1-[(1R)-1-phenylethyl]pyrrolidin-2-yl]acetate is sourced from PubChem (CID 70631589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).