4-[(3-fluorophenyl)methylcarbamoyl-methylamino]oxolane-3-carboxylic acid

C14H17FN2O4 — CID 66266895

IUPAC4-[(3-fluorophenyl)methylcarbamoyl-methylamino]oxolane-3-carboxylic acid
SMILESCN(C(=O)NCc1cccc(F)c1)C1COCC1C(=O)O
InChIInChI=1S/C14H17FN2O4/c1-17(12-8-21-7-11(12)13(18)19)14(20)16-6-9-3-2-4-10(15)5-9/h2-5,11-12H,6-8H2,1H3,(H,16,20)(H,18,19)
InChIKeySKVMDNBQEOSVPN-UHFFFAOYSA-N
MW296.30 g/mol
LogP1.07
Rot. Bonds4

About 4-[(3-fluorophenyl)methylcarbamoyl-methylamino]oxolane-3-carboxylic acid

4-[(3-fluorophenyl)methylcarbamoyl-methylamino]oxolane-3-carboxylic acid (PubChem CID 66266895) has the molecular formula C14H17FN2O4 and a molecular weight of 296.30 g/mol. Its IUPAC name is 4-[(3-fluorophenyl)methylcarbamoyl-methylamino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[(3-fluorophenyl)methylcarbamoyl-methylamino]oxolane-3-carboxylic acid
PubChem CID66266895
Molecular FormulaC14H17FN2O4
Molecular Weight296.30 g/mol
Exact Mass296.12
IUPAC Name4-[(3-fluorophenyl)methylcarbamoyl-methylamino]oxolane-3-carboxylic acid
SMILESCN(C(=O)NCc1cccc(F)c1)C1COCC1C(=O)O
InChIInChI=1S/C14H17FN2O4/c1-17(12-8-21-7-11(12)13(18)19)14(20)16-6-9-3-2-4-10(15)5-9/h2-5,11-12H,6-8H2,1H3,(H,16,20)(H,18,19)
InChIKeySKVMDNBQEOSVPN-UHFFFAOYSA-N
XLogP1.07
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.30
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3-chlorophenyl)methylcarbamoyl-methylamino]oxolane-3-carboxylic acid
CID 66266331
4-[methyl(pyridin-3-ylmethylcarbamoyl)amino]oxolane-3-carboxylic acid
CID 66267870
4-[(4,5-dimethylthiophen-2-yl)methylcarbamoyl-methylamino]oxolane-3-carboxylic acid
CID 66265943
4-[methyl-[(2-methylpyrazol-3-yl)methylcarbamoyl]amino]oxolane-3-carboxylic acid
CID 66266134
3-[(3-fluorophenyl)methyl]-1-methyl-1-(oxan-4-ylmethyl)urea
CID 91914985
4-[(2-chloro-5-fluorophenyl)carbamoyl-methylamino]oxolane-3-carboxylic acid
CID 107529809
4-[methyl-[(1-methylimidazol-2-yl)methylcarbamoyl]amino]oxolane-3-carboxylic acid
CID 66266133
3-[(3-fluorophenyl)methyl]-1-methyl-1-[(4-methyloxan-4-yl)methyl]urea
CID 71686940
4-[2-(carbamoylamino)ethylcarbamoyl-methylamino]oxolane-3-carboxylic acid
CID 83113561
4-[(2,4-difluorophenyl)methyl-methylamino]oxolane-3-carboxylic acid
CID 66235385
4-[3-(3-bromophenyl)propanoyl-methylamino]oxolane-3-carboxylic acid
CID 66236542
4-[(3-fluorophenyl)methylcarbamoyl-methylamino]butanoic acid
CID 43329847

Frequently Asked Questions

What is the IUPAC name of 4-[(3-fluorophenyl)methylcarbamoyl-methylamino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[(3-fluorophenyl)methylcarbamoyl-methylamino]oxolane-3-carboxylic acid (CID 66266895) is 4-[(3-fluorophenyl)methylcarbamoyl-methylamino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[(3-fluorophenyl)methylcarbamoyl-methylamino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[(3-fluorophenyl)methylcarbamoyl-methylamino]oxolane-3-carboxylic acid is CN(C(=O)NCc1cccc(F)c1)C1COCC1C(=O)O.
What is the InChIKey of 4-[(3-fluorophenyl)methylcarbamoyl-methylamino]oxolane-3-carboxylic acid?
The InChIKey is SKVMDNBQEOSVPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O4/c1-17(12-8-21-7-11(12)13(18)19)14(20)16-6-9-3-2-4-10(15)5-9/h2-5,11-12H,6-8H2,1H3,(H,16,20)(H,18,19).
What are the key properties of 4-[(3-fluorophenyl)methylcarbamoyl-methylamino]oxolane-3-carboxylic acid?
4-[(3-fluorophenyl)methylcarbamoyl-methylamino]oxolane-3-carboxylic acid has a molecular weight of 296.30 g/mol, XLogP of 1.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-fluorophenyl)methylcarbamoyl-methylamino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66266895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).