4-[(5-fluoropyridine-3-carbonyl)amino]-3-methyloxolane-3-carboxylic acid

C12H13FN2O4 — CID 104785636

IUPAC4-[(5-fluoropyridine-3-carbonyl)amino]-3-methyloxolane-3-carboxylic acid
SMILESCC1(C(=O)O)COCC1NC(=O)c1cncc(F)c1
InChIInChI=1S/C12H13FN2O4/c1-12(11(17)18)6-19-5-9(12)15-10(16)7-2-8(13)4-14-3-7/h2-4,9H,5-6H2,1H3,(H,15,16)(H,17,18)
InChIKeyLSDRBTAEVNNSOS-UHFFFAOYSA-N
MW268.24 g/mol
LogP0.44
Rot. Bonds3

About 4-[(5-fluoropyridine-3-carbonyl)amino]-3-methyloxolane-3-carboxylic acid

4-[(5-fluoropyridine-3-carbonyl)amino]-3-methyloxolane-3-carboxylic acid (PubChem CID 104785636) has the molecular formula C12H13FN2O4 and a molecular weight of 268.24 g/mol. Its IUPAC name is 4-[(5-fluoropyridine-3-carbonyl)amino]-3-methyloxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[(5-fluoropyridine-3-carbonyl)amino]-3-methyloxolane-3-carboxylic acid
PubChem CID104785636
Molecular FormulaC12H13FN2O4
Molecular Weight268.24 g/mol
Exact Mass268.09
IUPAC Name4-[(5-fluoropyridine-3-carbonyl)amino]-3-methyloxolane-3-carboxylic acid
SMILESCC1(C(=O)O)COCC1NC(=O)c1cncc(F)c1
InChIInChI=1S/C12H13FN2O4/c1-12(11(17)18)6-19-5-9(12)15-10(16)7-2-8(13)4-14-3-7/h2-4,9H,5-6H2,1H3,(H,15,16)(H,17,18)
InChIKeyLSDRBTAEVNNSOS-UHFFFAOYSA-N
XLogP0.44
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.24
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(5-fluoropyridine-2-carbonyl)amino]-3-methyloxolane-3-carboxylic acid
CID 104638322
3-methyl-4-[(4-methylsulfanylbenzoyl)amino]oxolane-3-carboxylic acid
CID 66256255
4-[(4-hydroxybenzoyl)amino]-3-methyloxolane-3-carboxylic acid
CID 66254723
4-[(4-carbamoylbenzoyl)amino]-3-methyloxolane-3-carboxylic acid
CID 66256427
4-[(4-hydroxy-3-methylbenzoyl)amino]-3-methyloxolane-3-carboxylic acid
CID 107675005
4-[(3-chloro-5-methylbenzoyl)amino]-3-methyloxolane-3-carboxylic acid
CID 81323538
4-[[4-(hydroxymethyl)benzoyl]amino]-3-methyloxolane-3-carboxylic acid
CID 66250277
4-[(3-bromo-4-methylbenzoyl)amino]-3-methyloxolane-3-carboxylic acid
CID 81472353
4-[(4-amino-3-chlorobenzoyl)amino]-3-methyloxolane-3-carboxylic acid
CID 66249336
4-[[2-(aminomethyl)pyridine-4-carbonyl]amino]-3-methyloxolane-3-carboxylic acid
CID 114326744
3-methyl-4-[(1-methyl-2-oxopyridine-4-carbonyl)amino]oxolane-3-carboxylic acid
CID 66256432
N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-5-fluoropyridine-3-carboxamide
CID 104786251

Frequently Asked Questions

What is the IUPAC name of 4-[(5-fluoropyridine-3-carbonyl)amino]-3-methyloxolane-3-carboxylic acid?
The IUPAC name of 4-[(5-fluoropyridine-3-carbonyl)amino]-3-methyloxolane-3-carboxylic acid (CID 104785636) is 4-[(5-fluoropyridine-3-carbonyl)amino]-3-methyloxolane-3-carboxylic acid.
What is the SMILES notation for 4-[(5-fluoropyridine-3-carbonyl)amino]-3-methyloxolane-3-carboxylic acid?
The canonical SMILES for 4-[(5-fluoropyridine-3-carbonyl)amino]-3-methyloxolane-3-carboxylic acid is CC1(C(=O)O)COCC1NC(=O)c1cncc(F)c1.
What is the InChIKey of 4-[(5-fluoropyridine-3-carbonyl)amino]-3-methyloxolane-3-carboxylic acid?
The InChIKey is LSDRBTAEVNNSOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O4/c1-12(11(17)18)6-19-5-9(12)15-10(16)7-2-8(13)4-14-3-7/h2-4,9H,5-6H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 4-[(5-fluoropyridine-3-carbonyl)amino]-3-methyloxolane-3-carboxylic acid?
4-[(5-fluoropyridine-3-carbonyl)amino]-3-methyloxolane-3-carboxylic acid has a molecular weight of 268.24 g/mol, XLogP of 0.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-fluoropyridine-3-carbonyl)amino]-3-methyloxolane-3-carboxylic acid is sourced from PubChem (CID 104785636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).