(2R,3R,5R)-5-[[2-fluoro-4-(furan-2-yl)phenyl]methylcarbamoyl]-3-methyloxolane-2-carboxylic acid

C18H18FNO5 — CID 146137071

IUPAC(2R,3R,5R)-5-[[2-fluoro-4-(furan-2-yl)phenyl]methylcarbamoyl]-3-methyloxolane-2-carboxylic acid
SMILESC[C@@H]1C[C@H](C(=O)NCc2ccc(-c3ccco3)cc2F)O[C@H]1C(=O)O
InChIInChI=1S/C18H18FNO5/c1-10-7-15(25-16(10)18(22)23)17(21)20-9-12-5-4-11(8-13(12)19)14-3-2-6-24-14/h2-6,8,10,15-16H,7,9H2,1H3,(H,20,21)(H,22,23)/t10-,15-,16-/m1/s1
InChIKeyIVVXTGDRZUPYQO-UHNFBRDESA-N
MW347.34 g/mol
LogP2.58
Rot. Bonds5

About (2R,3R,5R)-5-[[2-fluoro-4-(furan-2-yl)phenyl]methylcarbamoyl]-3-methyloxolane-2-carboxylic acid

(2R,3R,5R)-5-[[2-fluoro-4-(furan-2-yl)phenyl]methylcarbamoyl]-3-methyloxolane-2-carboxylic acid (PubChem CID 146137071) has the molecular formula C18H18FNO5 and a molecular weight of 347.34 g/mol. Its IUPAC name is (2R,3R,5R)-5-[[2-fluoro-4-(furan-2-yl)phenyl]methylcarbamoyl]-3-methyloxolane-2-carboxylic acid.

Molecular Properties

Compound Name(2R,3R,5R)-5-[[2-fluoro-4-(furan-2-yl)phenyl]methylcarbamoyl]-3-methyloxolane-2-carboxylic acid
PubChem CID146137071
Molecular FormulaC18H18FNO5
Molecular Weight347.34 g/mol
Exact Mass347.12
IUPAC Name(2R,3R,5R)-5-[[2-fluoro-4-(furan-2-yl)phenyl]methylcarbamoyl]-3-methyloxolane-2-carboxylic acid
SMILESC[C@@H]1C[C@H](C(=O)NCc2ccc(-c3ccco3)cc2F)O[C@H]1C(=O)O
InChIInChI=1S/C18H18FNO5/c1-10-7-15(25-16(10)18(22)23)17(21)20-9-12-5-4-11(8-13(12)19)14-3-2-6-24-14/h2-6,8,10,15-16H,7,9H2,1H3,(H,20,21)(H,22,23)/t10-,15-,16-/m1/s1
InChIKeyIVVXTGDRZUPYQO-UHNFBRDESA-N
XLogP2.58
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.34
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R,3R,5R)-5-[[2-fluoro-4-(furan-2-yl)phenyl]methylcarbamoyl]-3-methyloxolane-2-carboxylic acid with MolForge

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Related Compounds

2-[(2,5-difluorophenyl)methylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid
CID 114391019
3-[(2,4-difluorophenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 63783171
2-amino-N-[(2,4-difluorophenyl)methyl]cyclopropane-1-carboxamide
CID 82237556
N-[2-fluoro-4-(furan-2-yl)phenyl]prop-2-enamide
CID 166408328
N-[[3-(furan-2-yl)phenyl]methyl]cyclohexanecarboxamide
CID 66990891
4-[(2-bromo-6-fluorophenyl)methyl]-N-[[4-(furan-2-yl)phenyl]methyl]-6-methyl-1-(2-methylpropanoyl)piperazine-2-carboxamide
CID 171625796
N-[(2,4-difluorophenyl)methyl]-4-methyl-3-phenylmorpholine-2-carboxamide
CID 171142046
1-[2-fluoro-5-(furan-2-yl)phenyl]-3-(3-hydroxybutyl)urea
CID 111475577
(2S,5R)-5-(aminomethyl)-N-[(2,4-difluorophenyl)methyl]oxolane-2-carboxamide;hydrochloride
CID 120786007
1-[(2-fluorophenyl)methylcarbamoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 63719531
4-benzyl-N-[[4-(furan-2-yl)phenyl]methyl]-6-methyl-1-(2-methylpropanoyl)piperazine-2-carboxamide
CID 174245391
N-[(2-fluorophenyl)methyl]-1-[6-(furan-2-yl)pyridazin-3-yl]piperidine-3-carboxamide
CID 121071493

Frequently Asked Questions

What is the IUPAC name of (2R,3R,5R)-5-[[2-fluoro-4-(furan-2-yl)phenyl]methylcarbamoyl]-3-methyloxolane-2-carboxylic acid?
The IUPAC name of (2R,3R,5R)-5-[[2-fluoro-4-(furan-2-yl)phenyl]methylcarbamoyl]-3-methyloxolane-2-carboxylic acid (CID 146137071) is (2R,3R,5R)-5-[[2-fluoro-4-(furan-2-yl)phenyl]methylcarbamoyl]-3-methyloxolane-2-carboxylic acid.
What is the SMILES notation for (2R,3R,5R)-5-[[2-fluoro-4-(furan-2-yl)phenyl]methylcarbamoyl]-3-methyloxolane-2-carboxylic acid?
The canonical SMILES for (2R,3R,5R)-5-[[2-fluoro-4-(furan-2-yl)phenyl]methylcarbamoyl]-3-methyloxolane-2-carboxylic acid is C[C@@H]1C[C@H](C(=O)NCc2ccc(-c3ccco3)cc2F)O[C@H]1C(=O)O.
What is the InChIKey of (2R,3R,5R)-5-[[2-fluoro-4-(furan-2-yl)phenyl]methylcarbamoyl]-3-methyloxolane-2-carboxylic acid?
The InChIKey is IVVXTGDRZUPYQO-UHNFBRDESA-N. The full InChI is InChI=1S/C18H18FNO5/c1-10-7-15(25-16(10)18(22)23)17(21)20-9-12-5-4-11(8-13(12)19)14-3-2-6-24-14/h2-6,8,10,15-16H,7,9H2,1H3,(H,20,21)(H,22,23)/t10-,15-,16-/m1/s1.
What are the key properties of (2R,3R,5R)-5-[[2-fluoro-4-(furan-2-yl)phenyl]methylcarbamoyl]-3-methyloxolane-2-carboxylic acid?
(2R,3R,5R)-5-[[2-fluoro-4-(furan-2-yl)phenyl]methylcarbamoyl]-3-methyloxolane-2-carboxylic acid has a molecular weight of 347.34 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,5R)-5-[[2-fluoro-4-(furan-2-yl)phenyl]methylcarbamoyl]-3-methyloxolane-2-carboxylic acid is sourced from PubChem (CID 146137071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).