(2R)-2-[[4,4-difluoro-1-(4-methoxyphenyl)cyclohexanecarbonyl]-methylamino]-3-hydroxypropanoic acid

C18H23F2NO5 — CID 151666218

IUPAC(2R)-2-[[4,4-difluoro-1-(4-methoxyphenyl)cyclohexanecarbonyl]-methylamino]-3-hydroxypropanoic acid
SMILESCOc1ccc(C2(C(=O)N(C)[C@H](CO)C(=O)O)CCC(F)(F)CC2)cc1
InChIInChI=1S/C18H23F2NO5/c1-21(14(11-22)15(23)24)16(25)17(7-9-18(19,20)10-8-17)12-3-5-13(26-2)6-4-12/h3-6,14,22H,7-11H2,1-2H3,(H,23,24)/t14-/m1/s1
InChIKeyQXOVZCNJZVFMAN-CQSZACIVSA-N
MW371.38 g/mol
LogP2.05
Rot. Bonds6

About (2R)-2-[[4,4-difluoro-1-(4-methoxyphenyl)cyclohexanecarbonyl]-methylamino]-3-hydroxypropanoic acid

(2R)-2-[[4,4-difluoro-1-(4-methoxyphenyl)cyclohexanecarbonyl]-methylamino]-3-hydroxypropanoic acid (PubChem CID 151666218) has the molecular formula C18H23F2NO5 and a molecular weight of 371.38 g/mol. Its IUPAC name is (2R)-2-[[4,4-difluoro-1-(4-methoxyphenyl)cyclohexanecarbonyl]-methylamino]-3-hydroxypropanoic acid.

Molecular Properties

Compound Name(2R)-2-[[4,4-difluoro-1-(4-methoxyphenyl)cyclohexanecarbonyl]-methylamino]-3-hydroxypropanoic acid
PubChem CID151666218
Molecular FormulaC18H23F2NO5
Molecular Weight371.38 g/mol
Exact Mass371.15
IUPAC Name(2R)-2-[[4,4-difluoro-1-(4-methoxyphenyl)cyclohexanecarbonyl]-methylamino]-3-hydroxypropanoic acid
SMILESCOc1ccc(C2(C(=O)N(C)[C@H](CO)C(=O)O)CCC(F)(F)CC2)cc1
InChIInChI=1S/C18H23F2NO5/c1-21(14(11-22)15(23)24)16(25)17(7-9-18(19,20)10-8-17)12-3-5-13(26-2)6-4-12/h3-6,14,22H,7-11H2,1-2H3,(H,23,24)/t14-/m1/s1
InChIKeyQXOVZCNJZVFMAN-CQSZACIVSA-N
XLogP2.05
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.38
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-2-[[4,4-difluoro-1-(4-methoxyphenyl)cyclohexanecarbonyl]-methylamino]-3-hydroxypropanoic acid with MolForge

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Related Compounds

1-(4-methoxyphenyl)-N-methyl-N-(1-pyridin-3-ylethyl)cyclopropane-1-carboxamide
CID 56745365
2-[[1-(4-bromophenyl)cyclopropanecarbonyl]-methylamino]propanoic acid
CID 62626913
1-(4-methoxyphenyl)-N-methylcyclopropane-1-carboxamide
CID 53016794
3-[[1-(4-methoxyphenyl)cyclopentanecarbonyl]amino]-2-methylpropanoic acid
CID 119237635
N-[(4-methoxyphenyl)methyl]-N-methyl-4-phenyloxane-4-carboxamide
CID 39909967
1-(4-methoxyphenyl)-N'-methylcyclopropane-1-carbohydrazide
CID 116847276
2-methyl-3-[methyl-(1-phenylcyclopropanecarbonyl)amino]propanoic acid
CID 55008067
1-[4-(dideuteriomethoxy)phenyl]cyclopropane-1-carboxylic acid
CID 88598145
1-(4-methoxyphenyl)-3,3-dimethylcyclobutane-1-carboxylic acid
CID 65000749
[2-(4-methoxyphenyl)oxetan-2-yl]methanol
CID 117258820
N-(2-hydroxypropyl)-N-methyl-1-phenylcyclopropane-1-carboxamide
CID 62335163
2-(4-methoxy-N-methylanilino)butanedioic acid
CID 115144312

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[4,4-difluoro-1-(4-methoxyphenyl)cyclohexanecarbonyl]-methylamino]-3-hydroxypropanoic acid?
The IUPAC name of (2R)-2-[[4,4-difluoro-1-(4-methoxyphenyl)cyclohexanecarbonyl]-methylamino]-3-hydroxypropanoic acid (CID 151666218) is (2R)-2-[[4,4-difluoro-1-(4-methoxyphenyl)cyclohexanecarbonyl]-methylamino]-3-hydroxypropanoic acid.
What is the SMILES notation for (2R)-2-[[4,4-difluoro-1-(4-methoxyphenyl)cyclohexanecarbonyl]-methylamino]-3-hydroxypropanoic acid?
The canonical SMILES for (2R)-2-[[4,4-difluoro-1-(4-methoxyphenyl)cyclohexanecarbonyl]-methylamino]-3-hydroxypropanoic acid is COc1ccc(C2(C(=O)N(C)[C@H](CO)C(=O)O)CCC(F)(F)CC2)cc1.
What is the InChIKey of (2R)-2-[[4,4-difluoro-1-(4-methoxyphenyl)cyclohexanecarbonyl]-methylamino]-3-hydroxypropanoic acid?
The InChIKey is QXOVZCNJZVFMAN-CQSZACIVSA-N. The full InChI is InChI=1S/C18H23F2NO5/c1-21(14(11-22)15(23)24)16(25)17(7-9-18(19,20)10-8-17)12-3-5-13(26-2)6-4-12/h3-6,14,22H,7-11H2,1-2H3,(H,23,24)/t14-/m1/s1.
What are the key properties of (2R)-2-[[4,4-difluoro-1-(4-methoxyphenyl)cyclohexanecarbonyl]-methylamino]-3-hydroxypropanoic acid?
(2R)-2-[[4,4-difluoro-1-(4-methoxyphenyl)cyclohexanecarbonyl]-methylamino]-3-hydroxypropanoic acid has a molecular weight of 371.38 g/mol, XLogP of 2.05, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[4,4-difluoro-1-(4-methoxyphenyl)cyclohexanecarbonyl]-methylamino]-3-hydroxypropanoic acid is sourced from PubChem (CID 151666218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).