[2-[(3S)-3-methoxypyrrolidin-1-yl]-2-oxo-1-phenylethyl] N-methylcarbamate

C15H20N2O4 — CID 135374181

IUPAC[2-[(3S)-3-methoxypyrrolidin-1-yl]-2-oxo-1-phenylethyl] N-methylcarbamate
SMILESCNC(=O)OC(C(=O)N1CC[C@H](OC)C1)c1ccccc1
InChIInChI=1S/C15H20N2O4/c1-16-15(19)21-13(11-6-4-3-5-7-11)14(18)17-9-8-12(10-17)20-2/h3-7,12-13H,8-10H2,1-2H3,(H,16,19)/t12-,13?/m0/s1
InChIKeyYACQIDISYYVFRX-UEWDXFNNSA-N
MW292.34 g/mol
LogP1.33
Rot. Bonds4

About [2-[(3S)-3-methoxypyrrolidin-1-yl]-2-oxo-1-phenylethyl] N-methylcarbamate

[2-[(3S)-3-methoxypyrrolidin-1-yl]-2-oxo-1-phenylethyl] N-methylcarbamate (PubChem CID 135374181) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is [2-[(3S)-3-methoxypyrrolidin-1-yl]-2-oxo-1-phenylethyl] N-methylcarbamate.

Molecular Properties

Compound Name[2-[(3S)-3-methoxypyrrolidin-1-yl]-2-oxo-1-phenylethyl] N-methylcarbamate
PubChem CID135374181
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Name[2-[(3S)-3-methoxypyrrolidin-1-yl]-2-oxo-1-phenylethyl] N-methylcarbamate
SMILESCNC(=O)OC(C(=O)N1CC[C@H](OC)C1)c1ccccc1
InChIInChI=1S/C15H20N2O4/c1-16-15(19)21-13(11-6-4-3-5-7-11)14(18)17-9-8-12(10-17)20-2/h3-7,12-13H,8-10H2,1-2H3,(H,16,19)/t12-,13?/m0/s1
InChIKeyYACQIDISYYVFRX-UEWDXFNNSA-N
XLogP1.33
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-(2-methoxy-2-phenylacetyl)pyrrolidine-3-carboxylate
CID 112733867
1-(4-methoxypiperidin-1-yl)-2,2-diphenylethanone
CID 110725272
1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-methoxy-2-phenylethanone
CID 66291678
1-(3-hydroxypyrrolidin-1-yl)-2-methoxy-2-phenylethanone
CID 62918304
1-[(3S)-3-hydroxypyrrolidin-1-yl]-2-methoxy-2-phenylethanone
CID 79030711
(3R)-3-methoxy-N-methylpyrrolidine-1-carboxamide
CID 130636410
(2R)-2-amino-1-(3-methoxypyrrolidin-1-yl)-3-phenylpropan-1-one
CID 103532839
2-benzyl-3-(3-methoxypyrrolidin-1-yl)-3-oxopropanenitrile
CID 103533299
(2R)-2-amino-1-(4-methoxypiperidin-1-yl)-2-phenylethanone
CID 61156075
1-[(3R)-3-aminopyrrolidin-1-yl]-2-methoxy-2-phenylethanone;hydrochloride
CID 119413072
1-[3-ethyl-4-(methylamino)piperidin-1-yl]-2-methoxy-2-phenylethanone
CID 114506492
1-[(3S)-3-hydroxypyrrolidin-1-yl]-2-[(2-methylpropan-2-yl)oxy]-2-phenylethanone
CID 75432047

Frequently Asked Questions

What is the IUPAC name of [2-[(3S)-3-methoxypyrrolidin-1-yl]-2-oxo-1-phenylethyl] N-methylcarbamate?
The IUPAC name of [2-[(3S)-3-methoxypyrrolidin-1-yl]-2-oxo-1-phenylethyl] N-methylcarbamate (CID 135374181) is [2-[(3S)-3-methoxypyrrolidin-1-yl]-2-oxo-1-phenylethyl] N-methylcarbamate.
What is the SMILES notation for [2-[(3S)-3-methoxypyrrolidin-1-yl]-2-oxo-1-phenylethyl] N-methylcarbamate?
The canonical SMILES for [2-[(3S)-3-methoxypyrrolidin-1-yl]-2-oxo-1-phenylethyl] N-methylcarbamate is CNC(=O)OC(C(=O)N1CC[C@H](OC)C1)c1ccccc1.
What is the InChIKey of [2-[(3S)-3-methoxypyrrolidin-1-yl]-2-oxo-1-phenylethyl] N-methylcarbamate?
The InChIKey is YACQIDISYYVFRX-UEWDXFNNSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-16-15(19)21-13(11-6-4-3-5-7-11)14(18)17-9-8-12(10-17)20-2/h3-7,12-13H,8-10H2,1-2H3,(H,16,19)/t12-,13?/m0/s1.
What are the key properties of [2-[(3S)-3-methoxypyrrolidin-1-yl]-2-oxo-1-phenylethyl] N-methylcarbamate?
[2-[(3S)-3-methoxypyrrolidin-1-yl]-2-oxo-1-phenylethyl] N-methylcarbamate has a molecular weight of 292.34 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3S)-3-methoxypyrrolidin-1-yl]-2-oxo-1-phenylethyl] N-methylcarbamate is sourced from PubChem (CID 135374181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).