(2R,5S)-5-[(3,4-difluorophenyl)methylcarbamoyl]oxolane-2-carboxylic acid

C13H13F2NO4 — CID 102945093

IUPAC(2R,5S)-5-[(3,4-difluorophenyl)methylcarbamoyl]oxolane-2-carboxylic acid
SMILESO=C(NCc1ccc(F)c(F)c1)[C@@H]1CC[C@H](C(=O)O)O1
InChIInChI=1S/C13H13F2NO4/c14-8-2-1-7(5-9(8)15)6-16-12(17)10-3-4-11(20-10)13(18)19/h1-2,5,10-11H,3-4,6H2,(H,16,17)(H,18,19)/t10-,11+/m0/s1
InChIKeyUVMNODUADVSCBL-WDEREUQCSA-N
MW285.25 g/mol
LogP1.21
Rot. Bonds4

About (2R,5S)-5-[(3,4-difluorophenyl)methylcarbamoyl]oxolane-2-carboxylic acid

(2R,5S)-5-[(3,4-difluorophenyl)methylcarbamoyl]oxolane-2-carboxylic acid (PubChem CID 102945093) has the molecular formula C13H13F2NO4 and a molecular weight of 285.25 g/mol. Its IUPAC name is (2R,5S)-5-[(3,4-difluorophenyl)methylcarbamoyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name(2R,5S)-5-[(3,4-difluorophenyl)methylcarbamoyl]oxolane-2-carboxylic acid
PubChem CID102945093
Molecular FormulaC13H13F2NO4
Molecular Weight285.25 g/mol
Exact Mass285.08
IUPAC Name(2R,5S)-5-[(3,4-difluorophenyl)methylcarbamoyl]oxolane-2-carboxylic acid
SMILESO=C(NCc1ccc(F)c(F)c1)[C@@H]1CC[C@H](C(=O)O)O1
InChIInChI=1S/C13H13F2NO4/c14-8-2-1-7(5-9(8)15)6-16-12(17)10-3-4-11(20-10)13(18)19/h1-2,5,10-11H,3-4,6H2,(H,16,17)(H,18,19)/t10-,11+/m0/s1
InChIKeyUVMNODUADVSCBL-WDEREUQCSA-N
XLogP1.21
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.25
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(4-chlorophenyl)methylcarbamoyl]oxolane-2-carboxylic acid
CID 102687496
N-[(3,4-difluorophenyl)methyl]piperidine-4-carboxamide
CID 54967962
N-[(3,4-difluorophenyl)methyl]cyclopentanecarboxamide
CID 110781018
5-[(3-carbamoylphenyl)methylcarbamoyl]oxolane-2-carboxylic acid
CID 102687923
N,N'-bis[(3,4-difluorophenyl)methyl]oxamide
CID 126500404
5-[(3,4-difluorophenyl)methyl-methylcarbamoyl]oxolane-2-carboxylic acid
CID 102688105
(2R)-1-[(3,4-difluorophenyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 78922690
3-amino-N-[(3,4-difluorophenyl)methyl]cyclopentane-1-carboxamide
CID 66009834
N-[(3,4-difluorophenyl)methyl]-1-methylazepane-2-carboxamide
CID 72877122
N-[(3,4-difluorophenyl)methyl]-2-imidazol-1-ylcyclobutane-1-carboxamide
CID 141168854
9-amino-N-[(3,4-difluorophenyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120985269
2-cyclopropyl-2-[(3,4-difluorophenyl)methylcarbamoylamino]acetic acid
CID 62711747

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-5-[(3,4-difluorophenyl)methylcarbamoyl]oxolane-2-carboxylic acid?
The IUPAC name of (2R,5S)-5-[(3,4-difluorophenyl)methylcarbamoyl]oxolane-2-carboxylic acid (CID 102945093) is (2R,5S)-5-[(3,4-difluorophenyl)methylcarbamoyl]oxolane-2-carboxylic acid.
What is the SMILES notation for (2R,5S)-5-[(3,4-difluorophenyl)methylcarbamoyl]oxolane-2-carboxylic acid?
The canonical SMILES for (2R,5S)-5-[(3,4-difluorophenyl)methylcarbamoyl]oxolane-2-carboxylic acid is O=C(NCc1ccc(F)c(F)c1)[C@@H]1CC[C@H](C(=O)O)O1.
What is the InChIKey of (2R,5S)-5-[(3,4-difluorophenyl)methylcarbamoyl]oxolane-2-carboxylic acid?
The InChIKey is UVMNODUADVSCBL-WDEREUQCSA-N. The full InChI is InChI=1S/C13H13F2NO4/c14-8-2-1-7(5-9(8)15)6-16-12(17)10-3-4-11(20-10)13(18)19/h1-2,5,10-11H,3-4,6H2,(H,16,17)(H,18,19)/t10-,11+/m0/s1.
What are the key properties of (2R,5S)-5-[(3,4-difluorophenyl)methylcarbamoyl]oxolane-2-carboxylic acid?
(2R,5S)-5-[(3,4-difluorophenyl)methylcarbamoyl]oxolane-2-carboxylic acid has a molecular weight of 285.25 g/mol, XLogP of 1.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-5-[(3,4-difluorophenyl)methylcarbamoyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 102945093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).