(2R,3R,5R)-5-[(3-fluorophenyl)methyl-(oxolan-2-ylmethyl)carbamoyl]-3-methyloxolane-2-carboxylic acid

C19H24FNO5 — CID 136584620

IUPAC(2R,3R,5R)-5-[(3-fluorophenyl)methyl-(oxolan-2-ylmethyl)carbamoyl]-3-methyloxolane-2-carboxylic acid
SMILESC[C@@H]1C[C@H](C(=O)N(Cc2cccc(F)c2)CC2CCCO2)O[C@H]1C(=O)O
InChIInChI=1S/C19H24FNO5/c1-12-8-16(26-17(12)19(23)24)18(22)21(11-15-6-3-7-25-15)10-13-4-2-5-14(20)9-13/h2,4-5,9,12,15-17H,3,6-8,10-11H2,1H3,(H,23,24)/t12-,15?,16-,17-/m1/s1
InChIKeyCYVULFDJCYFDHC-KGZJSFCUSA-N
MW365.40 g/mol
LogP2.21
Rot. Bonds6

About (2R,3R,5R)-5-[(3-fluorophenyl)methyl-(oxolan-2-ylmethyl)carbamoyl]-3-methyloxolane-2-carboxylic acid

(2R,3R,5R)-5-[(3-fluorophenyl)methyl-(oxolan-2-ylmethyl)carbamoyl]-3-methyloxolane-2-carboxylic acid (PubChem CID 136584620) has the molecular formula C19H24FNO5 and a molecular weight of 365.40 g/mol. Its IUPAC name is (2R,3R,5R)-5-[(3-fluorophenyl)methyl-(oxolan-2-ylmethyl)carbamoyl]-3-methyloxolane-2-carboxylic acid.

Molecular Properties

Compound Name(2R,3R,5R)-5-[(3-fluorophenyl)methyl-(oxolan-2-ylmethyl)carbamoyl]-3-methyloxolane-2-carboxylic acid
PubChem CID136584620
Molecular FormulaC19H24FNO5
Molecular Weight365.40 g/mol
Exact Mass365.16
IUPAC Name(2R,3R,5R)-5-[(3-fluorophenyl)methyl-(oxolan-2-ylmethyl)carbamoyl]-3-methyloxolane-2-carboxylic acid
SMILESC[C@@H]1C[C@H](C(=O)N(Cc2cccc(F)c2)CC2CCCO2)O[C@H]1C(=O)O
InChIInChI=1S/C19H24FNO5/c1-12-8-16(26-17(12)19(23)24)18(22)21(11-15-6-3-7-25-15)10-13-4-2-5-14(20)9-13/h2,4-5,9,12,15-17H,3,6-8,10-11H2,1H3,(H,23,24)/t12-,15?,16-,17-/m1/s1
InChIKeyCYVULFDJCYFDHC-KGZJSFCUSA-N
XLogP2.21
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.40
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R,3R,5R)-5-[(3-fluorophenyl)methyl-(oxolan-2-ylmethyl)carbamoyl]-3-methyloxolane-2-carboxylic acid with MolForge

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Related Compounds

(2R)-N-[(3-fluorophenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]-1,4-dioxane-2-carboxamide
CID 94348949
N-[(3-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 71876169
3-amino-N-[(3-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide
CID 119759146
3-amino-N-[(3-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)cyclopentane-1-carboxamide;hydrochloride
CID 119759143
N-[(3-fluorophenyl)methyl]-2-methylsulfanyl-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 94348968
(3S)-N-[(3-fluorophenyl)methyl]-1-methyl-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide
CID 94348951
2-cyclohexylidene-N-[(3-fluorophenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 97011423
N-[(3-fluorophenyl)methyl]-3,5-dimethyl-N-(oxolan-2-ylmethyl)-1,2-oxazole-4-carboxamide
CID 71935038
N-[(3-fluorophenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 52528690
2-[benzyl(oxolan-2-ylmethyl)amino]-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide
CID 60570632
3-[[(3-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]-N,N-dimethylbenzamide
CID 49435339
4-[benzyl-[[(2R)-oxolan-2-yl]methyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 129467722

Frequently Asked Questions

What is the IUPAC name of (2R,3R,5R)-5-[(3-fluorophenyl)methyl-(oxolan-2-ylmethyl)carbamoyl]-3-methyloxolane-2-carboxylic acid?
The IUPAC name of (2R,3R,5R)-5-[(3-fluorophenyl)methyl-(oxolan-2-ylmethyl)carbamoyl]-3-methyloxolane-2-carboxylic acid (CID 136584620) is (2R,3R,5R)-5-[(3-fluorophenyl)methyl-(oxolan-2-ylmethyl)carbamoyl]-3-methyloxolane-2-carboxylic acid.
What is the SMILES notation for (2R,3R,5R)-5-[(3-fluorophenyl)methyl-(oxolan-2-ylmethyl)carbamoyl]-3-methyloxolane-2-carboxylic acid?
The canonical SMILES for (2R,3R,5R)-5-[(3-fluorophenyl)methyl-(oxolan-2-ylmethyl)carbamoyl]-3-methyloxolane-2-carboxylic acid is C[C@@H]1C[C@H](C(=O)N(Cc2cccc(F)c2)CC2CCCO2)O[C@H]1C(=O)O.
What is the InChIKey of (2R,3R,5R)-5-[(3-fluorophenyl)methyl-(oxolan-2-ylmethyl)carbamoyl]-3-methyloxolane-2-carboxylic acid?
The InChIKey is CYVULFDJCYFDHC-KGZJSFCUSA-N. The full InChI is InChI=1S/C19H24FNO5/c1-12-8-16(26-17(12)19(23)24)18(22)21(11-15-6-3-7-25-15)10-13-4-2-5-14(20)9-13/h2,4-5,9,12,15-17H,3,6-8,10-11H2,1H3,(H,23,24)/t12-,15?,16-,17-/m1/s1.
What are the key properties of (2R,3R,5R)-5-[(3-fluorophenyl)methyl-(oxolan-2-ylmethyl)carbamoyl]-3-methyloxolane-2-carboxylic acid?
(2R,3R,5R)-5-[(3-fluorophenyl)methyl-(oxolan-2-ylmethyl)carbamoyl]-3-methyloxolane-2-carboxylic acid has a molecular weight of 365.40 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,5R)-5-[(3-fluorophenyl)methyl-(oxolan-2-ylmethyl)carbamoyl]-3-methyloxolane-2-carboxylic acid is sourced from PubChem (CID 136584620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).