[(2R)-1-[(4-fluorophenyl)methyl]-3,4-dimethyl-5-oxo-2H-pyrrol-2-yl]-[(2S)-1-methoxy-4-methyl-1-oxopentan-2-yl]azanium

C20H28FN2O3+ — CID 7301229

IUPAC[(2R)-1-[(4-fluorophenyl)methyl]-3,4-dimethyl-5-oxo-2H-pyrrol-2-yl]-[(2S)-1-methoxy-4-methyl-1-oxopentan-2-yl]azanium
SMILESCOC(=O)[C@H](CC(C)C)[NH2+][C@H]1C(C)=C(C)C(=O)N1Cc1ccc(F)cc1
InChIInChI=1S/C20H27FN2O3/c1-12(2)10-17(20(25)26-5)22-18-13(3)14(4)19(24)23(18)11-15-6-8-16(21)9-7-15/h6-9,12,17-18,22H,10-11H2,1-5H3/p+1/t17-,18+/m0/s1
InChIKeyRCRRYLIBGLZWIW-ZWKOTPCHSA-O
MW363.45 g/mol
LogP1.98
Rot. Bonds7

About [(2R)-1-[(4-fluorophenyl)methyl]-3,4-dimethyl-5-oxo-2H-pyrrol-2-yl]-[(2S)-1-methoxy-4-methyl-1-oxopentan-2-yl]azanium

[(2R)-1-[(4-fluorophenyl)methyl]-3,4-dimethyl-5-oxo-2H-pyrrol-2-yl]-[(2S)-1-methoxy-4-methyl-1-oxopentan-2-yl]azanium (PubChem CID 7301229) has the molecular formula C20H28FN2O3+ and a molecular weight of 363.45 g/mol. Its IUPAC name is [(2R)-1-[(4-fluorophenyl)methyl]-3,4-dimethyl-5-oxo-2H-pyrrol-2-yl]-[(2S)-1-methoxy-4-methyl-1-oxopentan-2-yl]azanium.

Molecular Properties

Compound Name[(2R)-1-[(4-fluorophenyl)methyl]-3,4-dimethyl-5-oxo-2H-pyrrol-2-yl]-[(2S)-1-methoxy-4-methyl-1-oxopentan-2-yl]azanium
PubChem CID7301229
Molecular FormulaC20H28FN2O3+
Molecular Weight363.45 g/mol
Exact Mass363.21
IUPAC Name[(2R)-1-[(4-fluorophenyl)methyl]-3,4-dimethyl-5-oxo-2H-pyrrol-2-yl]-[(2S)-1-methoxy-4-methyl-1-oxopentan-2-yl]azanium
SMILESCOC(=O)[C@H](CC(C)C)[NH2+][C@H]1C(C)=C(C)C(=O)N1Cc1ccc(F)cc1
InChIInChI=1S/C20H27FN2O3/c1-12(2)10-17(20(25)26-5)22-18-13(3)14(4)19(24)23(18)11-15-6-8-16(21)9-7-15/h6-9,12,17-18,22H,10-11H2,1-5H3/p+1/t17-,18+/m0/s1
InChIKeyRCRRYLIBGLZWIW-ZWKOTPCHSA-O
XLogP1.98
TPSA63.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.45
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(2R)-1-[(4-fluorophenyl)methyl]-3,4-dimethyl-5-oxo-2H-pyrrol-2-yl]-[(2S)-1-methoxy-4-methyl-1-oxopentan-2-yl]azanium with MolForge

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Related Compounds

methyl 2-[[1-[(4-fluorophenyl)methyl]-3,4-dimethyl-5-oxo-2H-pyrrol-2-yl]amino]-2-naphthalen-2-ylacetate
CID 25246471
[(1S)-2-[2-(4-chlorophenyl)ethyl]-3-oxo-4,5,6,7-tetrahydro-1H-isoindol-1-yl]-[(2S)-1-methoxy-4-methyl-1-oxopentan-2-yl]azanium
CID 7289418
methyl 2-amino-2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]acetate
CID 83983287
methyl (2R)-3-(4-fluorophenyl)-2-methylpropanoate
CID 40999693
3-[1-[(4-fluorophenyl)methyl]-3,4-dimethyl-5-oxo-2H-pyrrol-2-yl]propanal
CID 143453749
methyl (2S)-2-chloro-3-(4-fluorophenyl)propanoate
CID 54763159
N-(2,4-dimethylpentan-3-yl)-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 42562266
(4-fluorophenyl)methyl 2-amino-4-methylpentanoate
CID 112510164
methyl 2-[(4-fluorobenzoyl)amino]-4-methylpentanoate
CID 2915918
methyl 2-[[2-[(4-fluorophenyl)methyl]-3-oxo-4,5,6,7-tetrahydro-1H-isoindol-1-yl]amino]-2-(3-methoxyphenyl)acetate
CID 25246419
methyl 2-amino-3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]propanoate
CID 83983286
methyl N-[1-[1-(4-fluorophenyl)propan-2-ylamino]-4-methyl-1-oxopentan-2-yl]carbamate
CID 47077305

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[(4-fluorophenyl)methyl]-3,4-dimethyl-5-oxo-2H-pyrrol-2-yl]-[(2S)-1-methoxy-4-methyl-1-oxopentan-2-yl]azanium?
The IUPAC name of [(2R)-1-[(4-fluorophenyl)methyl]-3,4-dimethyl-5-oxo-2H-pyrrol-2-yl]-[(2S)-1-methoxy-4-methyl-1-oxopentan-2-yl]azanium (CID 7301229) is [(2R)-1-[(4-fluorophenyl)methyl]-3,4-dimethyl-5-oxo-2H-pyrrol-2-yl]-[(2S)-1-methoxy-4-methyl-1-oxopentan-2-yl]azanium.
What is the SMILES notation for [(2R)-1-[(4-fluorophenyl)methyl]-3,4-dimethyl-5-oxo-2H-pyrrol-2-yl]-[(2S)-1-methoxy-4-methyl-1-oxopentan-2-yl]azanium?
The canonical SMILES for [(2R)-1-[(4-fluorophenyl)methyl]-3,4-dimethyl-5-oxo-2H-pyrrol-2-yl]-[(2S)-1-methoxy-4-methyl-1-oxopentan-2-yl]azanium is COC(=O)[C@H](CC(C)C)[NH2+][C@H]1C(C)=C(C)C(=O)N1Cc1ccc(F)cc1.
What is the InChIKey of [(2R)-1-[(4-fluorophenyl)methyl]-3,4-dimethyl-5-oxo-2H-pyrrol-2-yl]-[(2S)-1-methoxy-4-methyl-1-oxopentan-2-yl]azanium?
The InChIKey is RCRRYLIBGLZWIW-ZWKOTPCHSA-O. The full InChI is InChI=1S/C20H27FN2O3/c1-12(2)10-17(20(25)26-5)22-18-13(3)14(4)19(24)23(18)11-15-6-8-16(21)9-7-15/h6-9,12,17-18,22H,10-11H2,1-5H3/p+1/t17-,18+/m0/s1.
What are the key properties of [(2R)-1-[(4-fluorophenyl)methyl]-3,4-dimethyl-5-oxo-2H-pyrrol-2-yl]-[(2S)-1-methoxy-4-methyl-1-oxopentan-2-yl]azanium?
[(2R)-1-[(4-fluorophenyl)methyl]-3,4-dimethyl-5-oxo-2H-pyrrol-2-yl]-[(2S)-1-methoxy-4-methyl-1-oxopentan-2-yl]azanium has a molecular weight of 363.45 g/mol, XLogP of 1.98, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[(4-fluorophenyl)methyl]-3,4-dimethyl-5-oxo-2H-pyrrol-2-yl]-[(2S)-1-methoxy-4-methyl-1-oxopentan-2-yl]azanium is sourced from PubChem (CID 7301229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).