[1-[(2S)-2-methylbutanoyl]azetidin-3-yl] N-(3-fluorophenyl)carbamate

C15H19FN2O3 — CID 99788685

IUPAC[1-[(2S)-2-methylbutanoyl]azetidin-3-yl] N-(3-fluorophenyl)carbamate
SMILESCC[C@H](C)C(=O)N1CC(OC(=O)Nc2cccc(F)c2)C1
InChIInChI=1S/C15H19FN2O3/c1-3-10(2)14(19)18-8-13(9-18)21-15(20)17-12-6-4-5-11(16)7-12/h4-7,10,13H,3,8-9H2,1-2H3,(H,17,20)/t10-/m0/s1
InChIKeyNIGIZTPDKVMXJX-JTQLQIEISA-N
MW294.33 g/mol
LogP2.63
Rot. Bonds4

About [1-[(2S)-2-methylbutanoyl]azetidin-3-yl] N-(3-fluorophenyl)carbamate

[1-[(2S)-2-methylbutanoyl]azetidin-3-yl] N-(3-fluorophenyl)carbamate (PubChem CID 99788685) has the molecular formula C15H19FN2O3 and a molecular weight of 294.33 g/mol. Its IUPAC name is [1-[(2S)-2-methylbutanoyl]azetidin-3-yl] N-(3-fluorophenyl)carbamate.

Molecular Properties

Compound Name[1-[(2S)-2-methylbutanoyl]azetidin-3-yl] N-(3-fluorophenyl)carbamate
PubChem CID99788685
Molecular FormulaC15H19FN2O3
Molecular Weight294.33 g/mol
Exact Mass294.14
IUPAC Name[1-[(2S)-2-methylbutanoyl]azetidin-3-yl] N-(3-fluorophenyl)carbamate
SMILESCC[C@H](C)C(=O)N1CC(OC(=O)Nc2cccc(F)c2)C1
InChIInChI=1S/C15H19FN2O3/c1-3-10(2)14(19)18-8-13(9-18)21-15(20)17-12-6-4-5-11(16)7-12/h4-7,10,13H,3,8-9H2,1-2H3,(H,17,20)/t10-/m0/s1
InChIKeyNIGIZTPDKVMXJX-JTQLQIEISA-N
XLogP2.63
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-[(2S)-2-methylbutanoyl]azetidin-3-yl] N-(3-fluorophenyl)carbamate?
The IUPAC name of [1-[(2S)-2-methylbutanoyl]azetidin-3-yl] N-(3-fluorophenyl)carbamate (CID 99788685) is [1-[(2S)-2-methylbutanoyl]azetidin-3-yl] N-(3-fluorophenyl)carbamate.
What is the SMILES notation for [1-[(2S)-2-methylbutanoyl]azetidin-3-yl] N-(3-fluorophenyl)carbamate?
The canonical SMILES for [1-[(2S)-2-methylbutanoyl]azetidin-3-yl] N-(3-fluorophenyl)carbamate is CC[C@H](C)C(=O)N1CC(OC(=O)Nc2cccc(F)c2)C1.
What is the InChIKey of [1-[(2S)-2-methylbutanoyl]azetidin-3-yl] N-(3-fluorophenyl)carbamate?
The InChIKey is NIGIZTPDKVMXJX-JTQLQIEISA-N. The full InChI is InChI=1S/C15H19FN2O3/c1-3-10(2)14(19)18-8-13(9-18)21-15(20)17-12-6-4-5-11(16)7-12/h4-7,10,13H,3,8-9H2,1-2H3,(H,17,20)/t10-/m0/s1.
What are the key properties of [1-[(2S)-2-methylbutanoyl]azetidin-3-yl] N-(3-fluorophenyl)carbamate?
[1-[(2S)-2-methylbutanoyl]azetidin-3-yl] N-(3-fluorophenyl)carbamate has a molecular weight of 294.33 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2S)-2-methylbutanoyl]azetidin-3-yl] N-(3-fluorophenyl)carbamate is sourced from PubChem (CID 99788685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).