(2S)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-5-oxopyrrolidine-2-carboxamide

C15H20N2O3 — CID 94875015

IUPAC(2S)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-5-oxopyrrolidine-2-carboxamide
SMILESCOc1ccc(C)cc1[C@@H](C)NC(=O)[C@@H]1CCC(=O)N1
InChIInChI=1S/C15H20N2O3/c1-9-4-6-13(20-3)11(8-9)10(2)16-15(19)12-5-7-14(18)17-12/h4,6,8,10,12H,5,7H2,1-3H3,(H,16,19)(H,17,18)/t10-,12+/m1/s1
InChIKeyAQRNNLQYWMDIDC-PWSUYJOCSA-N
MW276.34 g/mol
LogP1.46
Rot. Bonds4

About (2S)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-5-oxopyrrolidine-2-carboxamide

(2S)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-5-oxopyrrolidine-2-carboxamide (PubChem CID 94875015) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is (2S)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-5-oxopyrrolidine-2-carboxamide
PubChem CID94875015
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name(2S)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-5-oxopyrrolidine-2-carboxamide
SMILESCOc1ccc(C)cc1[C@@H](C)NC(=O)[C@@H]1CCC(=O)N1
InChIInChI=1S/C15H20N2O3/c1-9-4-6-13(20-3)11(8-9)10(2)16-15(19)12-5-7-14(18)17-12/h4,6,8,10,12H,5,7H2,1-3H3,(H,16,19)(H,17,18)/t10-,12+/m1/s1
InChIKeyAQRNNLQYWMDIDC-PWSUYJOCSA-N
XLogP1.46
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[1-(2-methoxy-5-methylphenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119273007
N-[1-(2-methoxy-5-methylphenyl)ethyl]piperidine-4-carboxamide
CID 43703441
N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]cyclobutanecarboxamide
CID 9262346
4-hydroxy-N-[1-(2-methoxy-5-methylphenyl)ethyl]pyrrolidine-2-carboxamide
CID 43703463
5-[1-(2-methoxy-5-methylphenyl)ethylamino]piperidin-2-one
CID 63663695
(2S)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]oxolane-2-carboxamide
CID 35412352
(2R)-5-oxo-N-[(1R)-1-(2-phenoxyphenyl)ethyl]pyrrolidine-2-carboxamide
CID 95324386
(2R)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]oxolane-2-carboxamide
CID 35412359
3-amino-N-[1-(2-methoxy-5-methylphenyl)ethyl]cyclohexane-1-carboxamide
CID 63043593
2-chloro-N-[1-(2-methoxy-5-methylphenyl)ethyl]propanamide
CID 43697668
2-(azetidin-3-yl)-N-[1-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 64615985
2,2,2-trifluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 62490240

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-5-oxopyrrolidine-2-carboxamide (CID 94875015) is (2S)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-5-oxopyrrolidine-2-carboxamide is COc1ccc(C)cc1[C@@H](C)NC(=O)[C@@H]1CCC(=O)N1.
What is the InChIKey of (2S)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-5-oxopyrrolidine-2-carboxamide?
The InChIKey is AQRNNLQYWMDIDC-PWSUYJOCSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-9-4-6-13(20-3)11(8-9)10(2)16-15(19)12-5-7-14(18)17-12/h4,6,8,10,12H,5,7H2,1-3H3,(H,16,19)(H,17,18)/t10-,12+/m1/s1.
What are the key properties of (2S)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-5-oxopyrrolidine-2-carboxamide?
(2S)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-5-oxopyrrolidine-2-carboxamide has a molecular weight of 276.34 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 94875015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).