[(1R,2S)-1-cyclohexyl-1-(4-fluoro-2-methylphenyl)propan-2-yl] (2S)-2-aminopropanoate

C19H28FNO2 — CID 135195219

IUPAC[(1R,2S)-1-cyclohexyl-1-(4-fluoro-2-methylphenyl)propan-2-yl] (2S)-2-aminopropanoate
SMILESCc1cc(F)ccc1[C@@H](C1CCCCC1)[C@H](C)OC(=O)[C@H](C)N
InChIInChI=1S/C19H28FNO2/c1-12-11-16(20)9-10-17(12)18(15-7-5-4-6-8-15)14(3)23-19(22)13(2)21/h9-11,13-15,18H,4-8,21H2,1-3H3/t13-,14-,18+/m0/s1
InChIKeyNFMGVKFPVZMPKN-SUNYJGFJSA-N
MW321.44 g/mol
LogP4.08
Rot. Bonds5

About [(1R,2S)-1-cyclohexyl-1-(4-fluoro-2-methylphenyl)propan-2-yl] (2S)-2-aminopropanoate

[(1R,2S)-1-cyclohexyl-1-(4-fluoro-2-methylphenyl)propan-2-yl] (2S)-2-aminopropanoate (PubChem CID 135195219) has the molecular formula C19H28FNO2 and a molecular weight of 321.44 g/mol. Its IUPAC name is [(1R,2S)-1-cyclohexyl-1-(4-fluoro-2-methylphenyl)propan-2-yl] (2S)-2-aminopropanoate.

Molecular Properties

Compound Name[(1R,2S)-1-cyclohexyl-1-(4-fluoro-2-methylphenyl)propan-2-yl] (2S)-2-aminopropanoate
PubChem CID135195219
Molecular FormulaC19H28FNO2
Molecular Weight321.44 g/mol
Exact Mass321.21
IUPAC Name[(1R,2S)-1-cyclohexyl-1-(4-fluoro-2-methylphenyl)propan-2-yl] (2S)-2-aminopropanoate
SMILESCc1cc(F)ccc1[C@@H](C1CCCCC1)[C@H](C)OC(=O)[C@H](C)N
InChIInChI=1S/C19H28FNO2/c1-12-11-16(20)9-10-17(12)18(15-7-5-4-6-8-15)14(3)23-19(22)13(2)21/h9-11,13-15,18H,4-8,21H2,1-3H3/t13-,14-,18+/m0/s1
InChIKeyNFMGVKFPVZMPKN-SUNYJGFJSA-N
XLogP4.08
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.44
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(1R,2S)-1-cyclohexyl-1-(4-fluoro-2-methylphenyl)propan-2-yl] (2S)-2-aminopropanoate with MolForge

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Related Compounds

[(1R,2S)-1-cyclobutyl-1-(4-fluoro-2-methylphenyl)propan-2-yl] (2S)-2-aminopropanoate
CID 135195222
[(2S,3S)-3-(4-fluoro-2-methylphenyl)butan-2-yl] (2S)-2-aminopropanoate
CID 139472869
4-O-tert-butyl 1-O-[(1S,2S)-1-cyclobutyl-1-(4-fluoro-2-methylphenyl)propan-2-yl] (2R)-2-methylbutanedioate
CID 157368588
[(2S,3R)-3-(4-fluoro-2-methylphenyl)-4-methylhexan-2-yl] (2S)-2-aminopropanoate
CID 135195220
cyclopentyl-(4-fluoro-2-methylphenyl)methanamine
CID 62790372
[(1R,2S)-1-cyclopentyl-1-(3-fluorophenoxy)propan-2-yl] (2S)-2-aminopropanoate;hydrochloride
CID 162329343
cyclopentyl-(4-fluoro-2-methylphenyl)methanol
CID 62789449
[(2S)-1,1-bis(2,4-difluorophenyl)propan-2-yl] (2S)-2-aminopropanoate
CID 121463605
2-cyclohexyl-1-(4-fluoro-2-methylphenyl)-2-methoxyethanol
CID 116756379
cyclobutyl-(4-fluoro-2-methylphenyl)methanol
CID 64987002
1-(4-fluoro-2-methylphenyl)ethanamine
CID 62791014
N-[cyclohexyl-(4-fluoro-2-methylphenyl)methyl]ethanamine
CID 55187562

Frequently Asked Questions

What is the IUPAC name of [(1R,2S)-1-cyclohexyl-1-(4-fluoro-2-methylphenyl)propan-2-yl] (2S)-2-aminopropanoate?
The IUPAC name of [(1R,2S)-1-cyclohexyl-1-(4-fluoro-2-methylphenyl)propan-2-yl] (2S)-2-aminopropanoate (CID 135195219) is [(1R,2S)-1-cyclohexyl-1-(4-fluoro-2-methylphenyl)propan-2-yl] (2S)-2-aminopropanoate.
What is the SMILES notation for [(1R,2S)-1-cyclohexyl-1-(4-fluoro-2-methylphenyl)propan-2-yl] (2S)-2-aminopropanoate?
The canonical SMILES for [(1R,2S)-1-cyclohexyl-1-(4-fluoro-2-methylphenyl)propan-2-yl] (2S)-2-aminopropanoate is Cc1cc(F)ccc1[C@@H](C1CCCCC1)[C@H](C)OC(=O)[C@H](C)N.
What is the InChIKey of [(1R,2S)-1-cyclohexyl-1-(4-fluoro-2-methylphenyl)propan-2-yl] (2S)-2-aminopropanoate?
The InChIKey is NFMGVKFPVZMPKN-SUNYJGFJSA-N. The full InChI is InChI=1S/C19H28FNO2/c1-12-11-16(20)9-10-17(12)18(15-7-5-4-6-8-15)14(3)23-19(22)13(2)21/h9-11,13-15,18H,4-8,21H2,1-3H3/t13-,14-,18+/m0/s1.
What are the key properties of [(1R,2S)-1-cyclohexyl-1-(4-fluoro-2-methylphenyl)propan-2-yl] (2S)-2-aminopropanoate?
[(1R,2S)-1-cyclohexyl-1-(4-fluoro-2-methylphenyl)propan-2-yl] (2S)-2-aminopropanoate has a molecular weight of 321.44 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S)-1-cyclohexyl-1-(4-fluoro-2-methylphenyl)propan-2-yl] (2S)-2-aminopropanoate is sourced from PubChem (CID 135195219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).